methyl 3-{[(2-methylphenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 3-{[(2-methylphenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate
methyl 3-{[(2-methylphenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | K781-3507 |
| Compound Name: | methyl 3-{[(2-methylphenyl)carbamothioyl]amino}-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 290.34 |
| Molecular Formula: | C13 H14 N4 O2 S |
| Smiles: | Cc1ccccc1NC(Nc1c(c[nH]n1)C(=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 2.4663 |
| logD: | 2.4009 |
| logSw: | -2.8847 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.868 |
| InChI Key: | LTSKUXQBYQHKHB-UHFFFAOYSA-N |