Basic information
- Standard SMILES
NC1N=C(c2ccccc2F)c2ccccc2N(Cc2ccc3oc(=O)ccc3c2)C1=O- InChIKey
QMCVUQVHEWIAFR-UHFFFAOYSA-N- Molecular formula
- C25H18FN3O3
- Average molar mass
- 427.4 g/mol
Names & identifiers
- Preferred name
- (3RS)-3-amino-2,3-dihydro-5-(2-fluorophenyl)-1-(2-oxo-2H-1-benzopyran-6-yl)methyl-1H-1,4-benzodiazepin-2-one
- IUPAC
- 3-amino-5-(2-fluorophenyl)-1-[(2-oxochromen-6-yl)methyl]-3H-1,4-benzodiazepin-2-one
Names & synonyms
SCHEMBL8534606QMCVUQVHEWIAFR-UHFFFAOYSA-N(3RS)-3-amino-2,3-dihydro-5-(2-fluorophenyl)-1-(2-oxo-2H-1-benzopyran-6-yl)methyl-1H-1,4-benzodiazepin-2-one
Database identifiers
- PubChem CID
- 19081358
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 799
Related reactions
3 records
Compound notes
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