1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0079 |
| Compound Name: | 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(2-methoxyethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C22 H27 F N2 O4 S |
| Smiles: | COCCNC(N1CCc2cc(c(cc2C1COc1ccc(cc1)F)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3321 |
| logD: | 3.3321 |
| logSw: | -3.5477 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.601 |
| InChI Key: | ZDFPXHBVRDFAJX-IBGZPJMESA-N |