3-methyl-N-[(4-methylphenyl)methyl]-2-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
3-methyl-N-[(4-methylphenyl)methyl]-2-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
3-methyl-N-[(4-methylphenyl)methyl]-2-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | L678-0081 |
| Compound Name: | 3-methyl-N-[(4-methylphenyl)methyl]-2-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C26 H26 N2 O2 S |
| Smiles: | Cc1ccc(CNC(C2(C)Cc3ccccc3C(N2c2ccc(cc2)SC)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1541 |
| logD: | 5.1541 |
| logSw: | -5.0097 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.735 |
| InChI Key: | PQPCGSQQCRJFCN-SANMLTNESA-N |