4-{2-[1-(4-nitrophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid
Chemical Structure Depiction of
4-{2-[1-(4-nitrophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid
4-{2-[1-(4-nitrophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid
Compound characteristics
| Compound ID: | 1652-2256 |
| Compound Name: | 4-{2-[1-(4-nitrophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid |
| Molecular Weight: | 429.39 |
| Molecular Formula: | C22 H15 N5 O5 |
| Smiles: | c1ccc(cc1)C1/C(C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O)=N/Nc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3742 |
| logD: | 1.979 |
| logSw: | -4.4495 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.907 |
| InChI Key: | YSABHOOPZGMDPQ-UHFFFAOYSA-N |