2-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-4-nitrophenyl benzoate
Chemical Structure Depiction of
2-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-4-nitrophenyl benzoate
2-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-4-nitrophenyl benzoate
Compound characteristics
| Compound ID: | 8005-7304 |
| Compound Name: | 2-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-4-nitrophenyl benzoate |
| Molecular Weight: | 578.54 |
| Molecular Formula: | C31 H22 N4 O8 |
| Smiles: | C1Oc2ccc(/C=C(/C(N/N=C/c3cc(ccc3OC(c3ccccc3)=O)[N+]([O-])=O)=O)NC(c3ccccc3)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 5.254 |
| logD: | 3.6781 |
| logSw: | -5.4952 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 128.44 |
| InChI Key: | IKVGIIKXRIIRSG-UHFFFAOYSA-N |