ethyl 4-({6,7-dimethoxy-2-[(2-methylphenyl)carbamothioyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Chemical Structure Depiction of
ethyl 4-({6,7-dimethoxy-2-[(2-methylphenyl)carbamothioyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
ethyl 4-({6,7-dimethoxy-2-[(2-methylphenyl)carbamothioyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Compound characteristics
| Compound ID: | C111-0158 |
| Compound Name: | ethyl 4-({6,7-dimethoxy-2-[(2-methylphenyl)carbamothioyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C29 H32 N2 O5 S |
| Smiles: | CCOC(c1ccc(cc1)OCC1c2cc(c(cc2CCN1C(Nc1ccccc1C)=S)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.735 |
| logD: | 5.735 |
| logSw: | -5.4801 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.879 |
| InChI Key: | WNVKMGPCZVHCOT-VWLOTQADSA-N |