Basic information
- Standard SMILES
O=C(N1CCc2ccc(Cl)c(NCc3ccc4ncccc4c3)c2CC1)C(F)(F)F- InChIKey
FZNPYJFDWSANPI-UHFFFAOYSA-N- Molecular formula
- C22H19ClF3N3O
- Average molar mass
- 433.9 g/mol
- Monoisotopic mass
- 433.1168744
Names & identifiers
- Preferred name
- 7-chloro-6-[(quinolin-6-yl-methyl)-amino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
- IUPAC
- 1-[7-chloro-6-(quinolin-6-ylmethylamino)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2,2,2-trifluoroethanone
Names & synonyms
7-chloro-6-[(quinolin-6-yl-methyl)-amino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepineSCHEMBL507003
Database identifiers
- PubChem CID
- 86629631
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 605
Related reactions
3 records
Compound notes
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