4-(2-{2-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}ethenyl)-6-(trifluoromethyl)pyrimidin-2(1H)-one
Chemical Structure Depiction of
4-(2-{2-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}ethenyl)-6-(trifluoromethyl)pyrimidin-2(1H)-one
4-(2-{2-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}ethenyl)-6-(trifluoromethyl)pyrimidin-2(1H)-one
Compound characteristics
| Compound ID: | 8012-5938 |
| Compound Name: | 4-(2-{2-bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}ethenyl)-6-(trifluoromethyl)pyrimidin-2(1H)-one |
| Molecular Weight: | 429.19 |
| Molecular Formula: | C17 H12 Br F3 N2 O3 |
| Smiles: | COc1cc(/C=C/C2C=C(C(F)(F)F)NC(N=2)=O)c(cc1OCC#C)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.4489 |
| logD: | -0.6466 |
| logSw: | -3.785 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.2 |
| InChI Key: | WJTQMGJLANCMNF-UHFFFAOYSA-N |