6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C197-0028 |
| Compound Name: | 6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 530.57 |
| Molecular Formula: | C27 H25 F3 N2 O4 S |
| Smiles: | CN1C(C(C(Nc2ccc(cc2)C(F)(F)F)=O)c2cc(c(cc2C1=O)OC)OC)c1ccc(cc1)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0048 |
| logD: | 5.0046 |
| logSw: | -4.7042 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.04 |
| InChI Key: | DHUWDCDUKNGWLQ-UHFFFAOYSA-N |