1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0111 |
| Compound Name: | 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 536.54 |
| Molecular Formula: | C26 H24 F4 N2 O4 S |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)F)c2cc1OC)C(Nc1ccc(cc1)OC(F)(F)F)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2154 |
| logD: | 6.2154 |
| logSw: | -5.6579 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.76 |
| InChI Key: | FSUDTIZQUIZGMK-QFIPXVFZSA-N |