4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-ethoxyphenyl 4-nitrobenzoate
Chemical Structure Depiction of
4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-ethoxyphenyl 4-nitrobenzoate
4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-ethoxyphenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 8005-0936 |
| Compound Name: | 4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-ethoxyphenyl 4-nitrobenzoate |
| Molecular Weight: | 622.59 |
| Molecular Formula: | C33 H26 N4 O9 |
| Smiles: | CCOc1cc(/C=N/NC(/C(=C/c2ccc3c(c2)OCO3)NC(c2ccccc2)=O)=O)ccc1OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2883 |
| logD: | 3.7124 |
| logSw: | -5.4046 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 135.65 |
| InChI Key: | ZQTZHFPZJQELGU-UHFFFAOYSA-N |