Basic information
- Standard SMILES
O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(CO)C1- InChIKey
HTAGSLGTGKHANQ-HSZRJFAPSA-N- Molecular formula
- C24H21F4N3O3S
- Average molar mass
- 507.5 g/mol
Names & identifiers
- Preferred name
- (R)-(1-(4-fluorophenyl)-6-((4-(trifluoromethyl)phenyl)sulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinolin-4a-yl)methanol
- IUPAC
- [(4aR)-1-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methanol
Names & synonyms
(R)-(1-(4-fluorophenyl)-6-((4-(trifluoromethyl)phenyl)sulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinolin-4a-yl)methanolSCHEMBL12688020
Database identifiers
- PubChem CID
- 68353307
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 908
Related reactions
2 records
Compound notes
Loading…