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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.
| Canonical Smiles | C1CC2=C(C1)SC3=C2C(=O)N4C(=N3)C5=CC=CC=C5C(=N4)N6CCOCC6 |
|---|---|
| IUPAC Name | 19-morpholin-4-yl-9-thia-1,11,20-triazapentacyclo[10.8.0.03,10.04,8.013,18]icosa-3(10),4(8),11,13,15,17,19-heptaen-2-one |
| InChIKey | XTNMKCPXZCMVQE-UHFFFAOYSA-N |
| INCHI | 1S/C20H18N4O2S/c25-20-16-14-6-3-7-15(14)27-19(16)21-17-12-4-1-2-5-13(12)18(22-24(17)20)23-8-10-26-11-9-23/h1-2,4-5H,3,6-11H2 |
| Molecular Weight | 378.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phthalazines |
| Alternative Parents | Thienopyrimidines Dialkylarylamines Pyrimidones Aminopyridazines Benzenoids Morpholines Imidolactams Thiophenes Heteroaromatic compounds Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalazine - Thienopyrimidine - Dialkylarylamine - Aminopyridazine - Pyrimidone - Morpholine - Oxazinane - Pyridazine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Thiophene - Lactam - Dialkyl ether - Ether - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton. |
| External Descriptors | Not available |
| Molecular Weight | 378.400 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 378.115 Da |
| Monoisotopic Mass | 378.115 Da |
| Topological Polar Surface Area | 85.700 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 704.000 |
| 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 |
![5-morpholino-10,11-dihydrocyclopenta[4',5']thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8(9H)-one , CAS No.380453-55-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)