N-(4-{2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}phenyl)acetamide
N-(4-{2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}phenyl)acetamide
Compound characteristics
| Compound ID: | 1697-1711 |
| Compound Name: | N-(4-{2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}phenyl)acetamide |
| Molecular Weight: | 425.42 |
| Molecular Formula: | C18 H15 N7 O4 S |
| Smiles: | CC(Nc1ccc(cc1)N/N=C1\C(c2ccc(cc2)[N+]([O-])=O)=NN(C1=O)C(N)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8211 |
| logD: | 1.8207 |
| logSw: | -2.4746 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 119.541 |
| InChI Key: | DKVAABYUUJNZFZ-UHFFFAOYSA-N |