Basic information
- Standard SMILES
Cn1ccc2c(CNc3c(Cl)ccc4c3CCN(C(=O)C(F)(F)F)CC4)cccc21- InChIKey
VYFJRZOFWIWPQE-UHFFFAOYSA-N- Molecular formula
- C22H21ClF3N3O
- Average molar mass
- 435.9 g/mol
Names & identifiers
- Preferred name
- 7-chloro-6-[(1-methyl-indol-4-yl-methyl)-amino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
- IUPAC
- 1-[7-chloro-6-[(1-methylindol-4-yl)methylamino]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2,2,2-trifluoroethanone
Names & synonyms
7-chloro-6-[(1-methyl-indol-4-yl-methyl)-amino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepineSCHEMBL507086
Database identifiers
- PubChem CID
- 86629635
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 619
Related reactions
3 records
Compound notes
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