1-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
1-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
1-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0099 |
| Compound Name: | 1-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 470.54 |
| Molecular Formula: | C25 H24 F2 N2 O3 S |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)F)c2cc1OC)C(Nc1ccc(cc1)F)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0533 |
| logD: | 5.0533 |
| logSw: | -4.6717 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.824 |
| InChI Key: | CLLWOMVFGSNXMB-QFIPXVFZSA-N |