3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
Compound characteristics
| Compound ID: | 7213-0410 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide |
| Molecular Weight: | 479.48 |
| Molecular Formula: | C21 H20 F3 N5 O3 S |
| Smiles: | Cc1c(c(C)n(C)n1)NC(CCSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1213 |
| logD: | 3.1207 |
| logSw: | -3.3648 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.697 |
| InChI Key: | VMGNMRZVYXDKNU-UHFFFAOYSA-N |