1-(azepan-1-yl)-3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propan-1-one
1-(azepan-1-yl)-3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propan-1-one
Compound characteristics
| Compound ID: | 6466-1124 |
| Compound Name: | 1-(azepan-1-yl)-3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propan-1-one |
| Molecular Weight: | 453.48 |
| Molecular Formula: | C21 H22 F3 N3 O3 S |
| Smiles: | C1CCCN(CC1)C(CCSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8866 |
| logD: | 4.8866 |
| logSw: | -4.8384 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.827 |
| InChI Key: | JTURZAHGUWWQLV-UHFFFAOYSA-N |