methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate
Chemical Structure Depiction of
methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate
methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate
Compound characteristics
| Compound ID: | 8013-9663 |
| Compound Name: | methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate |
| Molecular Weight: | 445.27 |
| Molecular Formula: | C20 H17 Br N2 O5 |
| Smiles: | COC(c1ccccc1NC(C(=C\c1cc(c(c(c1)[Br])OC)OC)\C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.019 |
| logD: | 2.6311 |
| logSw: | -4.3005 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.209 |
| InChI Key: | ZBBNVNVKEQCDLV-UHFFFAOYSA-N |