ethyl 4-{[(1-ethyl-1H-pyrazole-4-carbonyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(1-ethyl-1H-pyrazole-4-carbonyl)carbamothioyl]amino}benzoate
ethyl 4-{[(1-ethyl-1H-pyrazole-4-carbonyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | Y500-9714 |
| Compound Name: | ethyl 4-{[(1-ethyl-1H-pyrazole-4-carbonyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 346.41 |
| Molecular Formula: | C16 H18 N4 O3 S |
| Smiles: | CCn1cc(cn1)C(NC(Nc1ccc(cc1)C(=O)OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6829 |
| logD: | 2.6826 |
| logSw: | -2.9306 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.495 |
| InChI Key: | FDIPOYZYVBXTIH-UHFFFAOYSA-N |