2-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-6-bromo-4-nitrophenyl benzoate
Chemical Structure Depiction of
2-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-6-bromo-4-nitrophenyl benzoate
2-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-6-bromo-4-nitrophenyl benzoate
Compound characteristics
| Compound ID: | 8005-7285 |
| Compound Name: | 2-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-6-bromo-4-nitrophenyl benzoate |
| Molecular Weight: | 657.43 |
| Molecular Formula: | C31 H21 Br N4 O8 |
| Smiles: | C1Oc2ccc(/C=C(/C(N/N=C\c3cc(cc(c3OC(c3ccccc3)=O)[Br])[N+]([O-])=O)=O)NC(c3ccccc3)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 6.3166 |
| logD: | 4.7407 |
| logSw: | -6.05 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 128.527 |
| InChI Key: | LZJATJHPUCKPNE-UHFFFAOYSA-N |