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Basic information
- Standard SMILES
CN(C)c1ncc2c(n1)-c1ccc(Cl)cc1NC(=O)C2- InChIKey
VIDCBSJBGRACSD-UHFFFAOYSA-N- Molecular formula
- C14H13ClN4O
- Average molar mass
- 288.73 g/mol
Names & identifiers
- Preferred name
- 9-Chloro-2-dimethylamino-5H,7H-benzo[b]pyrimido[4,5-d]azepin-6-one
- IUPAC
- 9-chloro-2-(dimethylamino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
Names & synonyms
SCHEMBL1183477VIDCBSJBGRACSD-UHFFFAOYSA-N9-Chloro-2-dimethylamino-5H,7H-benzo[b]pyrimido[4,5-d]azepin-6-one
Database identifiers
- PubChem CID
- 59852003
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Related reactions
2 records
Compound notes
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