N-[(4-methoxyphenyl)methyl]-3-methyl-2-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-3-methyl-2-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-[(4-methoxyphenyl)methyl]-3-methyl-2-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | L678-0101 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-3-methyl-2-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C26 H26 N2 O3 S |
| Smiles: | CC1(Cc2ccccc2C(N1c1cccc(c1)SC)=O)C(NCc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.422 |
| logD: | 4.422 |
| logSw: | -4.4178 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.279 |
| InChI Key: | POIHOOHAKLEZLH-SANMLTNESA-N |