1-(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
1-(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 8020-8699 |
| Compound Name: | 1-(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 451.27 |
| Molecular Formula: | C20 H19 Br O7 |
| Smiles: | COc1ccc(/C=C/C(c2c(c(c3c(c2[Br])OCO3)OC)OC)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.1884 |
| logD: | 4.1884 |
| logSw: | -4.6214 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.393 |
| InChI Key: | YEZVWVCZABOWAV-UHFFFAOYSA-N |