N-(2,6-diethylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(2,6-diethylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-(2,6-diethylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0092 |
| Compound Name: | N-(2,6-diethylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 508.66 |
| Molecular Formula: | C29 H33 F N2 O3 S |
| Smiles: | CCc1cccc(CC)c1NC(N1CCc2cc(c(cc2C1COc1ccc(cc1)F)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2479 |
| logD: | 6.2479 |
| logSw: | -5.7133 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4279 |
| InChI Key: | FXSOVCJCXVGJCB-VWLOTQADSA-N |