methyl 4-{[6,7-dimethoxy-2-(phenylcarbamothioyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Chemical Structure Depiction of
methyl 4-{[6,7-dimethoxy-2-(phenylcarbamothioyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
methyl 4-{[6,7-dimethoxy-2-(phenylcarbamothioyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Compound characteristics
| Compound ID: | C111-0120 |
| Compound Name: | methyl 4-{[6,7-dimethoxy-2-(phenylcarbamothioyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate |
| Molecular Weight: | 492.59 |
| Molecular Formula: | C27 H28 N2 O5 S |
| Smiles: | COC(c1ccc(cc1)OCC1c2cc(c(cc2CCN1C(Nc1ccccc1)=S)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8942 |
| logD: | 4.8942 |
| logSw: | -4.5698 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.997 |
| InChI Key: | WPDOTDGEZVUDIX-QHCPKHFHSA-N |