methyl 4-{2-[3-(4-nitrophenyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoate
Chemical Structure Depiction of
methyl 4-{2-[3-(4-nitrophenyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoate
methyl 4-{2-[3-(4-nitrophenyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoate
Compound characteristics
| Compound ID: | 1697-1593 |
| Compound Name: | methyl 4-{2-[3-(4-nitrophenyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoate |
| Molecular Weight: | 443.42 |
| Molecular Formula: | C23 H17 N5 O5 |
| Smiles: | COC(c1ccc(cc1)N/N=C1/C(c2ccc(cc2)[N+]([O-])=O)=NN(C1=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6002 |
| logD: | 4.6001 |
| logSw: | -4.5297 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.672 |
| InChI Key: | NUTWCCSGNLVGPD-UHFFFAOYSA-N |