4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-methoxy-3-nitrophenyl acetate
Chemical Structure Depiction of
4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-methoxy-3-nitrophenyl acetate
4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-methoxy-3-nitrophenyl acetate
Compound characteristics
| Compound ID: | 8005-8021 |
| Compound Name: | 4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-methoxy-3-nitrophenyl acetate |
| Molecular Weight: | 546.49 |
| Molecular Formula: | C27 H22 N4 O9 |
| Smiles: | CC(=O)Oc1ccc(/C=N/NC(/C(=C\c2ccc3c(c2)OCO3)NC(c2ccccc2)=O)=O)c(c1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1512 |
| logD: | 2.5753 |
| logSw: | -4.5384 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 135.929 |
| InChI Key: | HHALETUWDDQUKN-UHFFFAOYSA-N |