(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)[3-(3,4-dimethoxyphenyl)oxiran-2-yl]methanone
Chemical Structure Depiction of
(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)[3-(3,4-dimethoxyphenyl)oxiran-2-yl]methanone
(4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)[3-(3,4-dimethoxyphenyl)oxiran-2-yl]methanone
Compound characteristics
| Compound ID: | 8020-8701 |
| Compound Name: | (4-bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)[3-(3,4-dimethoxyphenyl)oxiran-2-yl]methanone |
| Molecular Weight: | 467.27 |
| Molecular Formula: | C20 H19 Br O8 |
| Smiles: | COc1ccc(cc1OC)C1C(C(c2c(c(c3c(c2[Br])OCO3)OC)OC)=O)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5123 |
| logD: | 3.5123 |
| logSw: | -3.7641 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.337 |
| InChI Key: | CIBNEMZCWYHNPO-UHFFFAOYSA-N |