1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0075 |
| Compound Name: | 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C20 H23 F N2 O3 S |
| Smiles: | CNC(N1CCc2cc(c(cc2C1COc1ccc(cc1)F)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.143 |
| logD: | 3.143 |
| logSw: | -3.359 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.568 |
| InChI Key: | MJPYXARRUDYXOP-KRWDZBQOSA-N |