Basic information
- Standard SMILES
Cn1ccnc1-c1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1- InChIKey
LLZFSPCRPHMUQS-UHFFFAOYSA-N- Molecular formula
- C23H22ClF3N4O
- Average molar mass
- 462.9 g/mol
Names & identifiers
- Preferred name
- 7-chloro-6-[4-(1-methyl-1H-imidazol-2-yl)-benzylamino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
- IUPAC
- 1-[7-chloro-6-[[4-(1-methylimidazol-2-yl)phenyl]methylamino]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2,2,2-trifluoroethanone
Names & synonyms
7-chloro-6-[4-(1-methyl-1H-imidazol-2-yl)-benzylamino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepineSCHEMBL507092
Database identifiers
- PubChem CID
- 86629613
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 643
Related reactions
3 records
Compound notes
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