N-[1-(2H-1,3-benzodioxol-5-yl)-3-{2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-{2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-{2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 8003-9124 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-{2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 538.35 |
| Molecular Formula: | C25 H20 Br N3 O6 |
| Smiles: | COc1cc(/C=N/NC(/C(=C\c2ccc3c(c2)OCO3)NC(c2ccccc2)=O)=O)cc(c1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.0772 |
| logD: | 2.5013 |
| logSw: | -4.186 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.704 |
| InChI Key: | PPVUKJPMBDFDGT-UHFFFAOYSA-N |