methyl 4-({2-[(2,5-dimethylphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Chemical Structure Depiction of
methyl 4-({2-[(2,5-dimethylphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
methyl 4-({2-[(2,5-dimethylphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Compound characteristics
| Compound ID: | C111-0125 |
| Compound Name: | methyl 4-({2-[(2,5-dimethylphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C29 H32 N2 O5 S |
| Smiles: | Cc1ccc(C)c(c1)NC(N1CCc2cc(c(cc2C1COc1ccc(cc1)C(=O)OC)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4707 |
| logD: | 5.4707 |
| logSw: | -5.3733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.3 |
| InChI Key: | CQMJNYJIQHBOBK-VWLOTQADSA-N |