butyl 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanoate
Chemical Structure Depiction of
butyl 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanoate
butyl 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | 6466-0509 |
| Compound Name: | butyl 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanoate |
| Molecular Weight: | 428.43 |
| Molecular Formula: | C19 H19 F3 N2 O4 S |
| Smiles: | CCCCOC(CCSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3771 |
| logD: | 5.3771 |
| logSw: | -5.3192 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.828 |
| InChI Key: | PSFNCFLRNXVTOF-UHFFFAOYSA-N |