3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
Compound characteristics
| Compound ID: | 6466-1149 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide |
| Molecular Weight: | 496.51 |
| Molecular Formula: | C22 H23 F3 N4 O4 S |
| Smiles: | C1CC(N(C1)CCCNC(CCSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5728 |
| logD: | 2.5728 |
| logSw: | -3.1673 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.929 |
| InChI Key: | PBEUOSOEMVQTHO-UHFFFAOYSA-N |