methyl 4-{[2-(ethylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(ethylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
methyl 4-{[2-(ethylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Compound characteristics
| Compound ID: | C111-0113 |
| Compound Name: | methyl 4-{[2-(ethylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C23 H28 N2 O5 S |
| Smiles: | CCNC(N1CCc2cc(c(cc2C1COc1ccc(cc1)C(=O)OC)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6261 |
| logD: | 3.6261 |
| logSw: | -3.8842 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.217 |
| InChI Key: | OWKSXRQIWGPGGG-IBGZPJMESA-N |