3-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)phenyl 2-bromobenzoate
Chemical Structure Depiction of
3-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)phenyl 2-bromobenzoate
3-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)phenyl 2-bromobenzoate
Compound characteristics
| Compound ID: | 8005-7641 |
| Compound Name: | 3-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)phenyl 2-bromobenzoate |
| Molecular Weight: | 612.44 |
| Molecular Formula: | C31 H22 Br N3 O6 |
| Smiles: | C1Oc2ccc(\C=C(/C(N/N=C/c3cccc(c3)OC(c3ccccc3[Br])=O)=O)NC(c3ccccc3)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 5.655 |
| logD: | 4.0791 |
| logSw: | -5.9675 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.972 |
| InChI Key: | AIUVLRVGEUQZFT-UHFFFAOYSA-N |