4-{2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid
Chemical Structure Depiction of
4-{2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid
4-{2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid
Compound characteristics
| Compound ID: | 1697-1707 |
| Compound Name: | 4-{2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid |
| Molecular Weight: | 412.38 |
| Molecular Formula: | C17 H12 N6 O5 S |
| Smiles: | c1cc(ccc1C1\C(C(N(C(N)=S)N=1)=O)=N/Nc1ccc(cc1)C(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4681 |
| logD: | 0.0729 |
| logSw: | -2.8688 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 124.688 |
| InChI Key: | HRTOMKVDBVBEIR-UHFFFAOYSA-N |