N-(4-ethoxyphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-(4-ethoxyphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0097 |
| Compound Name: | N-(4-ethoxyphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 496.6 |
| Molecular Formula: | C27 H29 F N2 O4 S |
| Smiles: | CCOc1ccc(cc1)NC(N1CCc2cc(c(cc2C1COc1ccc(cc1)F)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3932 |
| logD: | 5.3932 |
| logSw: | -5.4692 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.947 |
| InChI Key: | FHFWMICKQNSSPD-DEOSSOPVSA-N |