6-hydroxy-5-nitro-2-(2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}ethenyl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-hydroxy-5-nitro-2-(2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}ethenyl)pyrimidin-4(3H)-one
6-hydroxy-5-nitro-2-(2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}ethenyl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8017-0626 |
| Compound Name: | 6-hydroxy-5-nitro-2-(2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}ethenyl)pyrimidin-4(3H)-one |
| Molecular Weight: | 393.28 |
| Molecular Formula: | C17 H10 F3 N3 O5 |
| Smiles: | C(=C/c1ccc(c2cccc(c2)C(F)(F)F)o1)\C1NC(C(=C(N=1)O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.441 |
| logD: | -5.0671 |
| logSw: | -3.8041 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.941 |
| InChI Key: | XHZJVJCNSYSOOK-UHFFFAOYSA-N |