methyl 4-[(6,7-dimethoxy-2-{[3-(trifluoromethyl)phenyl]carbamothioyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]benzoate
Chemical Structure Depiction of
methyl 4-[(6,7-dimethoxy-2-{[3-(trifluoromethyl)phenyl]carbamothioyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]benzoate
methyl 4-[(6,7-dimethoxy-2-{[3-(trifluoromethyl)phenyl]carbamothioyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]benzoate
Compound characteristics
| Compound ID: | C111-0145 |
| Compound Name: | methyl 4-[(6,7-dimethoxy-2-{[3-(trifluoromethyl)phenyl]carbamothioyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]benzoate |
| Molecular Weight: | 560.59 |
| Molecular Formula: | C28 H27 F3 N2 O5 S |
| Smiles: | COC(c1ccc(cc1)OCC1c2cc(c(cc2CCN1C(Nc1cccc(c1)C(F)(F)F)=S)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1291 |
| logD: | 6.1291 |
| logSw: | -5.6923 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.997 |
| InChI Key: | ZLLIKIMBBVIBMV-QHCPKHFHSA-N |