propan-2-yl 4-[(benzylcarbamothioyl)amino]-1-ethyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-[(benzylcarbamothioyl)amino]-1-ethyl-1H-pyrazole-3-carboxylate
propan-2-yl 4-[(benzylcarbamothioyl)amino]-1-ethyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y503-3913 |
| Compound Name: | propan-2-yl 4-[(benzylcarbamothioyl)amino]-1-ethyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C17 H22 N4 O2 S |
| Smiles: | CCn1cc(c(C(=O)OC(C)C)n1)NC(NCc1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.3894 |
| logD: | 2.3709 |
| logSw: | -2.6615 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.166 |
| InChI Key: | NCYOVXZZLYFQCV-UHFFFAOYSA-N |