4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]ethenyl}-6-(trifluoromethyl)pyrimidin-2(1H)-one
Chemical Structure Depiction of
4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]ethenyl}-6-(trifluoromethyl)pyrimidin-2(1H)-one
4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]ethenyl}-6-(trifluoromethyl)pyrimidin-2(1H)-one
Compound characteristics
| Compound ID: | 4170-1113 |
| Compound Name: | 4-{2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]ethenyl}-6-(trifluoromethyl)pyrimidin-2(1H)-one |
| Molecular Weight: | 376.29 |
| Molecular Formula: | C17 H11 F3 N4 O3 |
| Smiles: | C(=C/c1cccn1c1ccc(cc1)[N+]([O-])=O)\C1C=C(C(F)(F)F)NC(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1076 |
| logD: | 0.0122 |
| logSw: | -4.4433 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.976 |
| InChI Key: | XAJFKHZPWRWOTJ-UHFFFAOYSA-N |