1-({[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-3,3-dimethyl-3,4-dihydroisoquinoline
Chemical Structure Depiction of
1-({[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-3,3-dimethyl-3,4-dihydroisoquinoline
1-({[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-3,3-dimethyl-3,4-dihydroisoquinoline
Compound characteristics
| Compound ID: | 8013-1547 |
| Compound Name: | 1-({[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-3,3-dimethyl-3,4-dihydroisoquinoline |
| Molecular Weight: | 417.45 |
| Molecular Formula: | C21 H18 F3 N3 O S |
| Smiles: | CC1(C)Cc2ccccc2C(CSc2nc(cc(C(F)(F)F)n2)c2ccco2)=N1 |
| Stereo: | ACHIRAL |
| logP: | 5.3675 |
| logD: | 5.2582 |
| logSw: | -5.5679 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.343 |
| InChI Key: | HTVZDJPHXLEEIO-UHFFFAOYSA-N |