4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)phenyl 4-nitrobenzoate
Chemical Structure Depiction of
4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)phenyl 4-nitrobenzoate
4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 8002-2448 |
| Compound Name: | 4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)phenyl 4-nitrobenzoate |
| Molecular Weight: | 578.54 |
| Molecular Formula: | C31 H22 N4 O8 |
| Smiles: | C1Oc2ccc(\C=C(/C(N/N=C/c3ccc(cc3)OC(c3ccc(cc3)[N+]([O-])=O)=O)=O)NC(c3ccccc3)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 5.0143 |
| logD: | 3.4384 |
| logSw: | -5.0765 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 128.354 |
| InChI Key: | MQQJGROKJSYXOR-UHFFFAOYSA-N |