N-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)-N-methylacetamide
Basic information
- CAS
7569-15-5- Standard SMILES
CC(=O)N(C)C1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1- InChIKey
LTSCUTRDOYXXGO-UHFFFAOYSA-N- Molecular formula
- C18H16ClN3O
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.0981898
Names & identifiers
- Preferred name
- N-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)-N-methylacetamide
- IUPAC
- N-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)-N-methylacetamide
Names & synonyms
7569-15-5NSC46082N-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)-N-methylacetamideDTXSID90997117NSC-46082
Database identifiers
- CAS
7569-15-5- PubChem CID
- 240102
- DTXSID
DTXSID90997117
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 510
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Compound notes
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