Basic information
- Standard SMILES
COc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1ccnc(C#N)c1)=N2- InChIKey
OXQWBRXAPDHAKJ-UHFFFAOYSA-N- Molecular formula
- C17H11F3N4O2
- Average molar mass
- 360.29 g/mol
Names & identifiers
- Preferred name
- 4-(8-Methoxy-4-oxo-7-trifluoromethyl-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-pyridine-2-carbonitrile
- IUPAC
- 4-[7-methoxy-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile
Names & synonyms
4-(8-Methoxy-4-oxo-7-trifluoromethyl-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-pyridine-2-carbonitrileSCHEMBL6433137
Database identifiers
- PubChem CID
- 18548812
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 627
Related reactions
2 records
Compound notes
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