ethyl 4-[(6,7-dimethoxy-2-{[4-(trifluoromethyl)phenyl]carbamothioyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]benzoate
Chemical Structure Depiction of
ethyl 4-[(6,7-dimethoxy-2-{[4-(trifluoromethyl)phenyl]carbamothioyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]benzoate
ethyl 4-[(6,7-dimethoxy-2-{[4-(trifluoromethyl)phenyl]carbamothioyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]benzoate
Compound characteristics
| Compound ID: | C111-0183 |
| Compound Name: | ethyl 4-[(6,7-dimethoxy-2-{[4-(trifluoromethyl)phenyl]carbamothioyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]benzoate |
| Molecular Weight: | 574.62 |
| Molecular Formula: | C29 H29 F3 N2 O5 S |
| Smiles: | CCOC(c1ccc(cc1)OCC1c2cc(c(cc2CCN1C(Nc1ccc(cc1)C(F)(F)F)=S)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4693 |
| logD: | 6.4693 |
| logSw: | -5.7117 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.577 |
| InChI Key: | HTYSRFHVQNBFGD-DEOSSOPVSA-N |