(S)-7-amino-6-chloro-5-(o-fluorophenyl)-1,3-dihydro-1,3-dimethyl-2H-1,4-benzodiazepin-2-one
Basic information
- Standard SMILES
C[C@@H]1N=C(c2ccccc2F)c2c(ccc(N)c2Cl)N(C)C1=O- InChIKey
ZGNJPXQHSLCZMT-VIFPVBQESA-N- Molecular formula
- C17H15ClFN3O
- Average molar mass
- 331.8 g/mol
Names & identifiers
- Preferred name
- (S)-7-amino-6-chloro-5-(o-fluorophenyl)-1,3-dihydro-1,3-dimethyl-2H-1,4-benzodiazepin-2-one
- IUPAC
- (3S)-7-amino-6-chloro-5-(2-fluorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one
Names & synonyms
SCHEMBL11072998ZGNJPXQHSLCZMT-VIFPVBQESA-N(S)-7-amino-6-chloro-5-(o-fluorophenyl)-1,3-dihydro-1,3-dimethyl-2H-1,4-benzodiazepin-2-one
Database identifiers
- PubChem CID
- 54545945
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 500
Related reactions
10 records
Compound notes
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