N-(2H-1,3-benzodioxol-5-yl)-3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
N-(2H-1,3-benzodioxol-5-yl)-3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | 6466-1166 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide |
| Molecular Weight: | 491.44 |
| Molecular Formula: | C22 H16 F3 N3 O5 S |
| Smiles: | C(CSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0407 |
| logD: | 5.0406 |
| logSw: | -5.0604 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.369 |
| InChI Key: | ACPSVZXLYGPTCH-UHFFFAOYSA-N |