4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-ethoxyphenyl 4-bromobenzoate
Chemical Structure Depiction of
4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-ethoxyphenyl 4-bromobenzoate
4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-ethoxyphenyl 4-bromobenzoate
Compound characteristics
| Compound ID: | 8005-0938 |
| Compound Name: | 4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-ethoxyphenyl 4-bromobenzoate |
| Molecular Weight: | 656.49 |
| Molecular Formula: | C33 H26 Br N3 O7 |
| Smiles: | CCOc1cc(/C=N/NC(/C(=C/c2ccc3c(c2)OCO3)NC(c2ccccc2)=O)=O)ccc1OC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1966 |
| logD: | 4.6207 |
| logSw: | -5.5942 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.269 |
| InChI Key: | VIHWLWTWOZVUHE-UHFFFAOYSA-N |