methyl 4-({2-[(2,5-dimethoxyphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Chemical Structure Depiction of
methyl 4-({2-[(2,5-dimethoxyphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
methyl 4-({2-[(2,5-dimethoxyphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Compound characteristics
| Compound ID: | C111-0133 |
| Compound Name: | methyl 4-({2-[(2,5-dimethoxyphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate |
| Molecular Weight: | 552.65 |
| Molecular Formula: | C29 H32 N2 O7 S |
| Smiles: | COC(c1ccc(cc1)OCC1c2cc(c(cc2CCN1C(Nc1cc(ccc1OC)OC)=S)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.113 |
| logD: | 5.113 |
| logSw: | -5.0833 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.474 |
| InChI Key: | UDOSEDSLMYMXBL-DEOSSOPVSA-N |