N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-{[3-(2,4-dinitrophenoxy)phenyl]methylidene}hydrazinyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-{[3-(2,4-dinitrophenoxy)phenyl]methylidene}hydrazinyl)-3-oxoprop-1-en-2-yl]benzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-{[3-(2,4-dinitrophenoxy)phenyl]methylidene}hydrazinyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 8005-7744 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-{[3-(2,4-dinitrophenoxy)phenyl]methylidene}hydrazinyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 595.52 |
| Molecular Formula: | C30 H21 N5 O9 |
| Smiles: | C1Oc2ccc(\C=C(/C(N/N=C/c3cccc(c3)Oc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)=O)NC(c3ccccc3)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 5.102 |
| logD: | 3.5261 |
| logSw: | -5.3082 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 147.891 |
| InChI Key: | LHNRKJRSOHBZKN-UHFFFAOYSA-N |