3-({2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioyl}amino)benzoic acid
Chemical Structure Depiction of
3-({2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioyl}amino)benzoic acid
3-({2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioyl}amino)benzoic acid
Compound characteristics
| Compound ID: | Y508-4242 |
| Compound Name: | 3-({2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioyl}amino)benzoic acid |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C16 H19 N5 O2 S |
| Smiles: | CCn1c(C)c(/C=N/NC(Nc2cccc(c2)C(O)=O)=S)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.434 |
| logD: | 0.5482 |
| logSw: | -3.6136 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.972 |
| InChI Key: | CUGIYCZRCFHDFH-UHFFFAOYSA-N |