1-(azepan-1-yl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
1-(azepan-1-yl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 6466-0273 |
| Compound Name: | 1-(azepan-1-yl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 425.47 |
| Molecular Formula: | C20 H22 F3 N3 O2 S |
| Smiles: | COc1ccc(cc1)c1cc(C(F)(F)F)nc(n1)SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0503 |
| logD: | 5.0503 |
| logSw: | -4.6958 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.256 |
| InChI Key: | MDDPICNPXVXNGS-UHFFFAOYSA-N |