Basic information
- Standard SMILES
CN1c2c(cc(Cc3ccccc3)cc2C(F)(F)F)[C@@H]2CNCC[C@@H]21- InChIKey
KJWQVNQPZZGDSB-WMZOPIPTSA-N- Molecular formula
- C20H21F3N2
- Average molar mass
- 346.4 g/mol
Names & identifiers
- Preferred name
- (4aS,9bR)-8-benzyl-5-methyl-6-trifluoromethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
- IUPAC
- (4aS,9bR)-8-benzyl-5-methyl-6-(trifluoromethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole
Names & synonyms
(4aS,9bR)-8-benzyl-5-methyl-6-trifluoromethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indoleSCHEMBL1845779
Database identifiers
- PubChem CID
- 58700334
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 460
Related reactions
1 records
Compound notes
Loading…