3-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)phenyl 4-nitrobenzoate
Chemical Structure Depiction of
3-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)phenyl 4-nitrobenzoate
3-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)phenyl 4-nitrobenzoate
Compound characteristics
Compound ID: | 8005-0460 |
Compound Name: | 3-({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\c3cccc(c3)OC(c3ccc(cc3)[N+]([O-])=O)=O)=O)NC(c3ccccc3)=O)cc2O1 |
Stereo: | ACHIRAL |
logP: | 5.0699 |
logD: | 3.494 |
logSw: | -5.1457 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 128.354 |
InChI Key: | FLEFZSZYEPNQEA-UHFFFAOYSA-N |