methyl 4-({2-[(4-ethoxyphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Chemical Structure Depiction of
methyl 4-({2-[(4-ethoxyphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
methyl 4-({2-[(4-ethoxyphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Compound characteristics
| Compound ID: | C111-0134 |
| Compound Name: | methyl 4-({2-[(4-ethoxyphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate |
| Molecular Weight: | 536.65 |
| Molecular Formula: | C29 H32 N2 O6 S |
| Smiles: | CCOc1ccc(cc1)NC(N1CCc2cc(c(cc2C1COc1ccc(cc1)C(=O)OC)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4549 |
| logD: | 5.4549 |
| logSw: | -5.4112 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.121 |
| InChI Key: | LYSMEJZKPPXPFH-VWLOTQADSA-N |