methyl (6,7-diethoxy-2-{[3-(methylsulfanyl)phenyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
Chemical Structure Depiction of
methyl (6,7-diethoxy-2-{[3-(methylsulfanyl)phenyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
methyl (6,7-diethoxy-2-{[3-(methylsulfanyl)phenyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
Compound characteristics
| Compound ID: | G525-0070 |
| Compound Name: | methyl (6,7-diethoxy-2-{[3-(methylsulfanyl)phenyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C24 H30 N2 O5 S |
| Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)C(Nc1cccc(c1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2876 |
| logD: | 3.2876 |
| logSw: | -3.584 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.905 |
| InChI Key: | YMMANUIHZGAAPK-FQEVSTJZSA-N |