N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | Y509-0810 |
| Compound Name: | N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 369.78 |
| Molecular Formula: | C13 H12 Cl N5 O4 S |
| Smiles: | CCn1cc(cn1)C(NC(Nc1cc(cc(c1O)[Cl])[N+]([O-])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4261 |
| logD: | 1.6095 |
| logSw: | -3.3753 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.905 |
| InChI Key: | JFAQMNLMFKFARQ-UHFFFAOYSA-N |