6-nitro-3-{[4-oxo-6-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]sulfanyl}-4-phenylquinolin-2(1H)-one
Chemical Structure Depiction of
6-nitro-3-{[4-oxo-6-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]sulfanyl}-4-phenylquinolin-2(1H)-one
6-nitro-3-{[4-oxo-6-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]sulfanyl}-4-phenylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | 5236-0098 |
| Compound Name: | 6-nitro-3-{[4-oxo-6-(trifluoromethyl)-4,5-dihydropyrimidin-2-yl]sulfanyl}-4-phenylquinolin-2(1H)-one |
| Molecular Weight: | 460.39 |
| Molecular Formula: | C20 H11 F3 N4 O4 S |
| Smiles: | C1C(C(F)(F)F)=NC(=NC1=O)SC1=C(c2ccccc2)c2cc(ccc2NC1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3459 |
| logD: | 0.8505 |
| logSw: | -3.864 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.18 |
| InChI Key: | FNHZKWHXKVWEOE-UHFFFAOYSA-N |