N-[(4-chlorophenyl)methyl]-3-methyl-2-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-3-methyl-2-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-[(4-chlorophenyl)methyl]-3-methyl-2-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | L678-0217 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-3-methyl-2-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 450.99 |
| Molecular Formula: | C25 H23 Cl N2 O2 S |
| Smiles: | CC1(Cc2ccccc2C(N1c1cccc(c1)SC)=O)C(NCc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0344 |
| logD: | 5.0344 |
| logSw: | -5.0447 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.735 |
| InChI Key: | SJKRDJRPWWUJQL-VWLOTQADSA-N |