6-{2-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]ethenyl}-4-(trifluoromethyl)pyrimidin-2(1H)-one
Chemical Structure Depiction of
6-{2-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]ethenyl}-4-(trifluoromethyl)pyrimidin-2(1H)-one
6-{2-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]ethenyl}-4-(trifluoromethyl)pyrimidin-2(1H)-one
Compound characteristics
| Compound ID: | 5408-0085 |
| Compound Name: | 6-{2-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]ethenyl}-4-(trifluoromethyl)pyrimidin-2(1H)-one |
| Molecular Weight: | 407.3 |
| Molecular Formula: | C18 H12 F3 N3 O5 |
| Smiles: | COc1cc(ccc1c1ccc(/C=C/C2=CC(C(F)(F)F)=NC(N2)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.226 |
| logD: | 3.8369 |
| logSw: | -4.5147 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.849 |
| InChI Key: | SJLFHUJQSJXXOM-UHFFFAOYSA-N |