4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-methoxyphenyl 2-bromobenzoate
Chemical Structure Depiction of
4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-methoxyphenyl 2-bromobenzoate
4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-methoxyphenyl 2-bromobenzoate
Compound characteristics
| Compound ID: | 8005-7794 |
| Compound Name: | 4-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-2-methoxyphenyl 2-bromobenzoate |
| Molecular Weight: | 642.46 |
| Molecular Formula: | C32 H24 Br N3 O7 |
| Smiles: | COc1cc(/C=N/NC(/C(=C\c2ccc3c(c2)OCO3)NC(c2ccccc2)=O)=O)ccc1OC(c1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7278 |
| logD: | 4.1518 |
| logSw: | -5.6318 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.689 |
| InChI Key: | IYUOZQHZQDXHOP-UHFFFAOYSA-N |