4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y509-0817 |
| Compound Name: | 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 404.23 |
| Molecular Formula: | C13 H11 Cl2 N5 O4 S |
| Smiles: | Cc1c(c(C(NC(Nc2cc(cc(c2O)[Cl])[N+]([O-])=O)=S)=O)n(C)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9406 |
| logD: | 2.1239 |
| logSw: | -3.5126 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.271 |
| InChI Key: | SFSQDNJLVRHGGF-UHFFFAOYSA-N |