Basic information
- Standard SMILES
CCc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3ccnc(C#N)c3)c1)=N2- InChIKey
XRSMUBKRHULSTH-UHFFFAOYSA-N- Molecular formula
- C24H17F3N4O
- Average molar mass
- 434.4 g/mol
- Monoisotopic mass
- 434.13544566
Names & identifiers
- Preferred name
- 4-[3-(8-Ethyl-4-oxo-7-trifluoromethyl-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-phenyl]-pyridine-2-carbonitrile
- IUPAC
- 4-[3-[7-ethyl-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]phenyl]pyridine-2-carbonitrile
Names & synonyms
4-[3-(8-Ethyl-4-oxo-7-trifluoromethyl-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-phenyl]-pyridine-2-carbonitrileSCHEMBL5564380
Database identifiers
- PubChem CID
- 22317835
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 773
Related reactions
2 records
Compound notes
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