6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-N-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-N-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-N-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C197-0058 |
| Compound Name: | 6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-N-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C23 H28 N2 O4 S |
| Smiles: | CC(C)NC(C1C(c2ccc(cc2)SC)N(C)C(c2cc(c(cc12)OC)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1167 |
| logD: | 3.1167 |
| logSw: | -3.4992 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.608 |
| InChI Key: | VNTNFCLTJKCLKO-UHFFFAOYSA-N |