6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0037 |
| Compound Name: | 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 548.58 |
| Molecular Formula: | C27 H27 F3 N2 O5 S |
| Smiles: | COc1ccc(cc1)OCC1c2cc(c(cc2CCN1C(Nc1ccc(cc1)OC(F)(F)F)=S)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1688 |
| logD: | 6.1688 |
| logSw: | -5.6464 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.304 |
| InChI Key: | IVZCKVIXVDUXKA-QHCPKHFHSA-N |