Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCc3cc(C(F)(F)F)ccc3C2)c1- InChIKey
VYWVZPHRRWOHEY-UHFFFAOYSA-N- Molecular formula
- C22H23F3N2O4S
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.13306288
Names & identifiers
- Preferred name
- (5-Methanesulfonyl-2-morpholin-4-yl-phenyl)-(6-trifluoromethyl-3,4-dihydro-1H-isoquinolin-2-yl)-methanone
- IUPAC
- (5-methylsulfonyl-2-morpholin-4-ylphenyl)-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Names & synonyms
(5-Methanesulfonyl-2-morpholin-4-yl-phenyl)-(6-trifluoromethyl-3,4-dihydro-1H-isoquinolin-2-yl)-methanoneSCHEMBL1381399
Database identifiers
- PubChem CID
- 11547255
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 779
Related reactions
2 records
Compound notes
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