N-(2-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(2-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C197-0024 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 515 |
| Molecular Formula: | C26 H24 Cl F N2 O4 S |
| Smiles: | CN1C(C(C(Nc2ccc(cc2[Cl])F)=O)c2cc(c(cc2C1=O)OC)OC)c1ccc(cc1)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8637 |
| logD: | 4.5528 |
| logSw: | -5.0212 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.343 |
| InChI Key: | JYVBAINVTMCRRW-UHFFFAOYSA-N |