1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(2-phenylethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(2-phenylethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(2-phenylethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0082 |
| Compound Name: | 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(2-phenylethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 480.6 |
| Molecular Formula: | C27 H29 F N2 O3 S |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)F)c2cc1OC)C(NCCc1ccccc1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7728 |
| logD: | 4.7728 |
| logSw: | -4.5166 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.987 |
| InChI Key: | YKKSEYGAHLLEBF-DEOSSOPVSA-N |