methyl 4-{[1-(4-nitrophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(4-nitrophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}benzoate
methyl 4-{[1-(4-nitrophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 8008-5769 |
| Compound Name: | methyl 4-{[1-(4-nitrophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}benzoate |
| Molecular Weight: | 427.42 |
| Molecular Formula: | C24 H17 N3 O5 |
| Smiles: | COC(c1ccc(/C=C2/C(c3ccccc3)=NN(C2=O)c2ccc(cc2)[N+]([O-])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7141 |
| logD: | 4.7141 |
| logSw: | -4.6709 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.697 |
| InChI Key: | KVSGULIWADGJLQ-UHFFFAOYSA-N |