Basic information
- Standard SMILES
NC1N=C(c2ccccc2F)c2ccccc2N(Cc2nc3ccccc3s2)C1=O- InChIKey
ZNQAOKMIKHLETF-UHFFFAOYSA-N- Molecular formula
- C23H17FN4OS
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.11071051
Names & identifiers
- Preferred name
- (3RS)-3-amino-1-(benzo-thiazol-2-yl)methyl-2,3-dihydro-5-(2-fluorophenyl)-1H-1,4-benzo-diazepin-2-one
- IUPAC
- 3-amino-1-(1,3-benzothiazol-2-ylmethyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
Names & synonyms
SCHEMBL8536543ZNQAOKMIKHLETF-UHFFFAOYSA-N(3RS)-3-amino-1-(benzo-thiazol-2-yl)methyl-2,3-dihydro-5-(2-fluorophenyl)-1H-1,4-benzo-diazepin-2-one
Database identifiers
- PubChem CID
- 19081252
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 676
Related reactions
2 records
Compound notes
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