4-[2-(1-carbamothioyl-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]benzoic acid
Chemical Structure Depiction of
4-[2-(1-carbamothioyl-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]benzoic acid
4-[2-(1-carbamothioyl-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]benzoic acid
Compound characteristics
| Compound ID: | 1652-1807 |
| Compound Name: | 4-[2-(1-carbamothioyl-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]benzoic acid |
| Molecular Weight: | 367.38 |
| Molecular Formula: | C17 H13 N5 O3 S |
| Smiles: | c1ccc(cc1)C1\C(C(N(C(N)=S)N=1)=O)=N/Nc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4374 |
| logD: | 0.0422 |
| logSw: | -2.8359 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.306 |
| InChI Key: | BRTXJIKBDDFUCX-UHFFFAOYSA-N |