N-[3-{2-[(4-methoxy-3-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}phenyl)methylidene]hydrazinyl}-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
N-[3-{2-[(4-methoxy-3-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}phenyl)methylidene]hydrazinyl}-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
N-[3-{2-[(4-methoxy-3-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}phenyl)methylidene]hydrazinyl}-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | K087-0428 |
| Compound Name: | N-[3-{2-[(4-methoxy-3-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}phenyl)methylidene]hydrazinyl}-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 648.72 |
| Molecular Formula: | C36 H36 N6 O6 |
| Smiles: | [H]C(\c1ccc(c(CN2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)c1)OC)=N/NC(/C(=C/c1ccc(cc1)OC)NC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4509 |
| logD: | 3.5768 |
| logSw: | -5.5103 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.027 |
| InChI Key: | JXWRFVFACCSJJY-UHFFFAOYSA-N |