Basic information
- Standard SMILES
Cc1cccnc1CN1C(=O)C(N2C(=O)c3ccccc3C2=O)N=C(c2ccccc2F)c2ccccc21- InChIKey
MTWBHLBXUQTPAQ-UHFFFAOYSA-N- Molecular formula
- C30H21FN4O3
- Average molar mass
- 504.5 g/mol
- Monoisotopic mass
- 504.15976871
Names & identifiers
- Preferred name
- (3RS)-2,3-dihydro-5-(2-fluorophenyl)-1-(3-methylpyridin-2-yl)methyl-3-phtalimido-1H-1,4-benzodiazepin-2-one
- IUPAC
- 2-[5-(2-fluorophenyl)-1-[(3-methyl-2-pyridinyl)methyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione
Names & synonyms
SCHEMBL8536312MTWBHLBXUQTPAQ-UHFFFAOYSA-N(3RS)-2,3-dihydro-5-(2-fluorophenyl)-1-(3-methylpyridin-2-yl)methyl-3-phtalimido-1H-1,4-benzodiazepin-2-one
Database identifiers
- PubChem CID
- 19081220
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 947
Related reactions
2 records
Compound notes
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