1-(azepan-1-yl)-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
1-(azepan-1-yl)-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 7213-0363 |
| Compound Name: | 1-(azepan-1-yl)-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 455.5 |
| Molecular Formula: | C21 H24 F3 N3 O3 S |
| Smiles: | COc1ccc(cc1OC)c1cc(C(F)(F)F)nc(n1)SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5686 |
| logD: | 4.5685 |
| logSw: | -4.4521 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.973 |
| InChI Key: | VAEBRPRUFHGMAL-UHFFFAOYSA-N |