for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)C4=CSC=N4 |
|---|---|
| IUPAC Name | N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(1,3-thiazol-4-yl)benzamide |
| InChIKey | RGWFVVKSJUSKTE-UHFFFAOYSA-N |
| INCHI | 1S/C25H30N4O2S/c1-31-24-7-3-2-6-23(24)29-16-14-28(15-17-29)13-5-4-12-26-25(30)21-10-8-20(9-11-21)22-18-32-19-27-22/h2-3,6-11,18-19H,4-5,12-17H2,1H3,(H,26,30) |
| Isómeros SMILES | COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)C4=CSC=N4 |
| WGK Alemania | 3 |
| PubChem CID | 91885413 |
| Peso molecular | 450.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Methoxyanilines Benzamides Aminophenyl ethers Phenoxy compounds Methoxybenzenes Dialkylarylamines Benzoyl derivatives Anisoles Alkyl aryl ethers N-alkylpiperazines Thiazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Benzamide - Benzoic acid or derivatives - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - N-alkylpiperazine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Thiazole - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 450.600 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 450.209 Da |
| Monoisotopic Mass | 450.209 Da |
| Topological Polar Surface Area | 85.900 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 564.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
