methyl 3-{[(2-chloro-4-methylphenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 3-{[(2-chloro-4-methylphenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate
methyl 3-{[(2-chloro-4-methylphenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | K781-3511 |
| Compound Name: | methyl 3-{[(2-chloro-4-methylphenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 324.79 |
| Molecular Formula: | C13 H13 Cl N4 O2 S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(Nc1c(c[nH]n1)C(=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 3.3953 |
| logD: | 3.2576 |
| logSw: | -3.7572 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.868 |
| InChI Key: | SUMNGRNBLMGRFN-UHFFFAOYSA-N |