N-(3-fluoro-4-methylphenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-fluoro-4-methylphenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(3-fluoro-4-methylphenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C197-0013 |
| Compound Name: | N-(3-fluoro-4-methylphenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 494.58 |
| Molecular Formula: | C27 H27 F N2 O4 S |
| Smiles: | Cc1ccc(cc1F)NC(C1C(c2ccc(cc2)SC)N(C)C(c2cc(c(cc12)OC)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7818 |
| logD: | 4.7724 |
| logSw: | -4.5865 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.04 |
| InChI Key: | RQZSJHYGKFGRGS-UHFFFAOYSA-N |