N-[1-(2H-1,3-benzodioxol-5-yl)-3-{2-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-{2-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-{2-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 8005-8044 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-{2-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 504.46 |
| Molecular Formula: | C25 H20 N4 O8 |
| Smiles: | COc1c(ccc(/C=N/NC(/C(=C\c2ccc3c(c2)OCO3)NC(c2ccccc2)=O)=O)c1[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.9645 |
| logD: | 2.3886 |
| logSw: | -3.9548 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.639 |
| InChI Key: | AKTFXCBEENLAFE-UHFFFAOYSA-N |