6-[2-(6-nitro-2H-1,3-benzodioxol-5-yl)ethenyl]-4-(trifluoromethyl)pyrimidin-2(1H)-one
Chemical Structure Depiction of
6-[2-(6-nitro-2H-1,3-benzodioxol-5-yl)ethenyl]-4-(trifluoromethyl)pyrimidin-2(1H)-one
6-[2-(6-nitro-2H-1,3-benzodioxol-5-yl)ethenyl]-4-(trifluoromethyl)pyrimidin-2(1H)-one
Compound characteristics
| Compound ID: | 8001-7882 |
| Compound Name: | 6-[2-(6-nitro-2H-1,3-benzodioxol-5-yl)ethenyl]-4-(trifluoromethyl)pyrimidin-2(1H)-one |
| Molecular Weight: | 355.23 |
| Molecular Formula: | C14 H8 F3 N3 O5 |
| Smiles: | C1Oc2cc(/C=C/C3=CC(C(F)(F)F)=NC(N3)=O)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7144 |
| logD: | 2.2288 |
| logSw: | -3.2714 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.463 |
| InChI Key: | SXEBXHPBLPTMGI-OWOJBTEDSA-N |