6-[2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-4-(trifluoromethyl)pyrimidin-2(1H)-one
Chemical Structure Depiction of
6-[2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-4-(trifluoromethyl)pyrimidin-2(1H)-one
6-[2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-4-(trifluoromethyl)pyrimidin-2(1H)-one
Compound characteristics
| Compound ID: | 8008-9315 |
| Compound Name: | 6-[2-(3,5-dibromo-2-methoxyphenyl)ethenyl]-4-(trifluoromethyl)pyrimidin-2(1H)-one |
| Molecular Weight: | 454.04 |
| Molecular Formula: | C14 H9 Br2 F3 N2 O2 |
| Smiles: | COc1c(/C=C/C2=CC(C(F)(F)F)=NC(N2)=O)cc(cc1[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6701 |
| logD: | 4.4425 |
| logSw: | -4.4343 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.984 |
| InChI Key: | JYYDJAIPWHSVFK-UHFFFAOYSA-N |