3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(morpholin-4-yl)ethyl]propanamide
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(morpholin-4-yl)ethyl]propanamide
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(morpholin-4-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | 6466-1145 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(morpholin-4-yl)ethyl]propanamide |
| Molecular Weight: | 484.5 |
| Molecular Formula: | C21 H23 F3 N4 O4 S |
| Smiles: | C(CSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)C(NCCN1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8213 |
| logD: | 2.7455 |
| logSw: | -3.4116 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.308 |
| InChI Key: | RAAUWCVIDLFWTR-UHFFFAOYSA-N |