1-({[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-3,3-dimethyl-3,4-dihydroisoquinoline
Chemical Structure Depiction of
1-({[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-3,3-dimethyl-3,4-dihydroisoquinoline
1-({[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-3,3-dimethyl-3,4-dihydroisoquinoline
Compound characteristics
| Compound ID: | 8013-1511 |
| Compound Name: | 1-({[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-3,3-dimethyl-3,4-dihydroisoquinoline |
| Molecular Weight: | 471.5 |
| Molecular Formula: | C24 H20 F3 N3 O2 S |
| Smiles: | CC1(C)Cc2ccccc2C(CSc2nc(cc(C(F)(F)F)n2)c2ccc3c(c2)OCO3)=N1 |
| Stereo: | ACHIRAL |
| logP: | 6.26 |
| logD: | 6.1507 |
| logSw: | -5.658 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.88 |
| InChI Key: | NGZGTONLFLSHQA-UHFFFAOYSA-N |