4-{2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzene-1-sulfonic acid
Chemical Structure Depiction of
4-{2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzene-1-sulfonic acid
4-{2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzene-1-sulfonic acid
Compound characteristics
| Compound ID: | 1697-1703 |
| Compound Name: | 4-{2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzene-1-sulfonic acid |
| Molecular Weight: | 448.43 |
| Molecular Formula: | C16 H12 N6 O6 S2 |
| Smiles: | c1cc(ccc1C1\C(C(N(C(N)=S)N=1)=O)=N/Nc1ccc(cc1)S(O)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.5298 |
| logD: | -14.2297 |
| logSw: | -2.1993 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 138.693 |
| InChI Key: | PZMLNCQDHHDMLD-UHFFFAOYSA-N |