3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]propanamide
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]propanamide
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]propanamide
Compound characteristics
| Compound ID: | 7213-0409 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]propanamide |
| Molecular Weight: | 493.51 |
| Molecular Formula: | C22 H22 F3 N5 O3 S |
| Smiles: | CCn1c(C)c(CNC(CCSc2nc(cc(C(F)(F)F)n2)c2ccc3c(c2)OCO3)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 3.963 |
| logD: | 3.963 |
| logSw: | -3.9418 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.501 |
| InChI Key: | RZFAHTNTEXAXJZ-UHFFFAOYSA-N |