N-(5-chloro-2-methoxyphenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(5-chloro-2-methoxyphenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C197-0021 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 527.04 |
| Molecular Formula: | C27 H27 Cl N2 O5 S |
| Smiles: | CN1C(C(C(Nc2cc(ccc2OC)[Cl])=O)c2cc(c(cc2C1=O)OC)OC)c1ccc(cc1)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6835 |
| logD: | 4.5192 |
| logSw: | -4.9774 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.973 |
| InChI Key: | MMDNSOMWEREGAK-UHFFFAOYSA-N |