N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | Y500-9711 |
| Compound Name: | N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 363.39 |
| Molecular Formula: | C15 H17 N5 O4 S |
| Smiles: | CCn1cc(cn1)C(NC(Nc1ccc(cc1[N+]([O-])=O)OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8547 |
| logD: | 2.8357 |
| logSw: | -3.533 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.248 |
| InChI Key: | VUZQCGGOEMCTMK-UHFFFAOYSA-N |