methyl 5-{[(3,4-dichlorophenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-{[(3,4-dichlorophenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate
methyl 5-{[(3,4-dichlorophenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | K781-0327 |
| Compound Name: | methyl 5-{[(3,4-dichlorophenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 345.2 |
| Molecular Formula: | C12 H10 Cl2 N4 O2 S |
| Smiles: | COC(c1cn[nH]c1NC(Nc1ccc(c(c1)[Cl])[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6043 |
| logD: | 3.5742 |
| logSw: | -3.9535 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.566 |
| InChI Key: | DDCFFLWLRNIQJS-UHFFFAOYSA-N |