6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0071 |
| Compound Name: | 6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 532.58 |
| Molecular Formula: | C27 H27 F3 N2 O4 S |
| Smiles: | COc1ccccc1OCC1c2cc(c(cc2CCN1C(Nc1cccc(c1)C(F)(F)F)=S)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9098 |
| logD: | 5.9098 |
| logSw: | -5.8258 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.541 |
| InChI Key: | PJVDOSNTBJRYKS-NRFANRHFSA-N |