2-methyl-N-[3-(methylsulfanyl)phenyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-methyl-N-[3-(methylsulfanyl)phenyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-methyl-N-[3-(methylsulfanyl)phenyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0187 |
| Compound Name: | 2-methyl-N-[3-(methylsulfanyl)phenyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C22 H20 N2 O2 S2 |
| Smiles: | CN1C(C(C(Nc2cccc(c2)SC)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7203 |
| logD: | 3.7202 |
| logSw: | -4.034 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.798 |
| InChI Key: | KKLUPXQSEWKGQZ-UHFFFAOYSA-N |