6,6-dimethyl-2-(4-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
6,6-dimethyl-2-(4-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
6,6-dimethyl-2-(4-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1202 |
| Compound Name: | 6,6-dimethyl-2-(4-methylphenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C27 H28 N2 O3 S |
| Smiles: | Cc1ccc(cc1)N1C=C2C(CC(C)(C)CC2=O)=C(C(NCc2ccc(cc2)SC)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.101 |
| logD: | 4.0961 |
| logSw: | -4.2514 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.608 |
| InChI Key: | USKAQFFCWLGNCA-UHFFFAOYSA-N |