methyl 4-({2-[(2,6-diethylphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Chemical Structure Depiction of
methyl 4-({2-[(2,6-diethylphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
methyl 4-({2-[(2,6-diethylphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Compound characteristics
| Compound ID: | C111-0129 |
| Compound Name: | methyl 4-({2-[(2,6-diethylphenyl)carbamothioyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate |
| Molecular Weight: | 548.7 |
| Molecular Formula: | C31 H36 N2 O5 S |
| Smiles: | CCc1cccc(CC)c1NC(N1CCc2cc(c(cc2C1COc1ccc(cc1)C(=O)OC)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3096 |
| logD: | 6.3096 |
| logSw: | -5.5442 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.602 |
| InChI Key: | UNXPODBAGPWNQT-SANMLTNESA-N |