N-(2H-1,3-benzodioxol-5-yl)-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide
N-(2H-1,3-benzodioxol-5-yl)-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | 7213-0336 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide |
| Molecular Weight: | 451.42 |
| Molecular Formula: | C20 H16 F3 N3 O4 S |
| Smiles: | C(CC(Nc1ccc2c(c1)OCO2)=O)CSc1nc(cc(C(F)(F)F)n1)c1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 4.1876 |
| logD: | 4.1875 |
| logSw: | -4.2709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.832 |
| InChI Key: | ZMBIOAXSLWDDIF-UHFFFAOYSA-N |