Basic information
- Standard SMILES
O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2cc(OCC(F)(F)F)c(-c3ccccc3F)cc2N1- InChIKey
NWIYLCHBJCUSCI-UHFFFAOYSA-N- Molecular formula
- C26H18F4N4O2
- Average molar mass
- 494.4 g/mol
Names & identifiers
- Preferred name
- 8-(2-Fluoro-phenyl)-4-(3-imidazol-1-yl-phenyl)-7-(2,2,2-trifluoro-ethoxy)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
- IUPAC
- 8-(2-fluorophenyl)-4-(3-imidazol-1-ylphenyl)-7-(2,2,2-trifluoroethoxy)-1,3-dihydro-1,5-benzodiazepin-2-one
Names & synonyms
8-(2-Fluoro-phenyl)-4-(3-imidazol-1-yl-phenyl)-7-(2,2,2-trifluoro-ethoxy)-1,3-dihydro-benzo[b][1,4]diazepin-2-oneSCHEMBL6165474
Database identifiers
- PubChem CID
- 18613402
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 809
Related reactions
2 records
Compound notes
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