4-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)pyrimidin-2(1H)-one
Chemical Structure Depiction of
4-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)pyrimidin-2(1H)-one
4-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)pyrimidin-2(1H)-one
Compound characteristics
| Compound ID: | 3448-3388 |
| Compound Name: | 4-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)pyrimidin-2(1H)-one |
| Molecular Weight: | 389.13 |
| Molecular Formula: | C14 H8 Br F3 N2 O3 |
| Smiles: | C1Oc2cc(/C=C/C3C=C(C(F)(F)F)NC(N=3)=O)c(cc2O1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7553 |
| logD: | -0.3401 |
| logSw: | -4.1295 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.18 |
| InChI Key: | VZRFWJSHEPJDCF-UHFFFAOYSA-N |