3-{[2-(5,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
Chemical Structure Depiction of
3-{[2-(5,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
3-{[2-(5,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 8001-5513 |
| Compound Name: | 3-{[2-(5,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl}phenyl 4-nitrobenzoate |
| Molecular Weight: | 533.54 |
| Molecular Formula: | C30 H23 N5 O5 |
| Smiles: | C1C(C(N/N=C/c2cccc(c2)OC(c2ccc(cc2)[N+]([O-])=O)=O)=O)=NNC1(c1ccccc1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7363 |
| logD: | 5.625 |
| logSw: | -6.0564 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.926 |
| InChI Key: | SMXVFZYBOOVVHW-UHFFFAOYSA-N |