Basic information
- CAS
63931-90-8- Standard SMILES
NC(=O)C1=NNc2ccccc2C(=O)N1c1ccccc1- InChIKey
SYLXSYKPLOSTDX-UHFFFAOYSA-N- Molecular formula
- C15H12N4O2
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.09602564
Names & identifiers
- Preferred name
- 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide
- IUPAC
- 5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide
Names & synonyms
63931-90-81H-1,2,4-Benzotriazepine-3-carboxamide, 4,5-dihydro-5-oxo-4-phenyl-NSC 307500BRN 06744969LC3489KIWNSC-3075004,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamideUNII-9LC3489KIWDTXSID402137535-26-07-00292 (Beilstein Handbook Reference)RefChem:198495DTXCID70136244
Show more names
NSC3075005-oxo-4-phenyl-4,5-dihydro-1h-1,2,4-benzotriazepine-3-carboxamide5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamideCHEMBL19724871H-1,2,4-Benzotriazepine-3-carboxamide,4,5-dihydro-5-oxo-4-phenyl-NCI60_002630DS-002854
Database identifiers
- CAS
63931-90-8- PubChem CID
- 72802
- DTXSID
DTXSID40213753- ChEMBL
CHEMBL1972487- UNII
- 9LC3489KIW
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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