4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-methoxyphenyl 4-nitrobenzoate
Chemical Structure Depiction of
4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-methoxyphenyl 4-nitrobenzoate
4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-methoxyphenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 8005-0957 |
| Compound Name: | 4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-methoxyphenyl 4-nitrobenzoate |
| Molecular Weight: | 608.56 |
| Molecular Formula: | C32 H24 N4 O9 |
| Smiles: | COc1cc(/C=N/NC(/C(=C/c2ccc3c(c2)OCO3)NC(c2ccccc2)=O)=O)ccc1OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1427 |
| logD: | 3.5668 |
| logSw: | -5.1722 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 136.071 |
| InChI Key: | NKUPTWNCXDJYOX-UHFFFAOYSA-N |