N-[1-(2H-1,3-benzodioxol-5-yl)-3-{2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-{2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-{2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 8005-7676 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-{2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 518.48 |
| Molecular Formula: | C26 H22 N4 O8 |
| Smiles: | COc1cc(c(cc1/C=N/NC(/C(=C\c1ccc2c(c1)OCO2)NC(c1ccccc1)=O)=O)[N+]([O-])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2659 |
| logD: | 2.69 |
| logSw: | -4.4041 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.936 |
| InChI Key: | VRDTXUWGJPYZPR-UHFFFAOYSA-N |