4-chloro-1-ethyl-N-[(2-iodophenyl)carbamothioyl]-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-1-ethyl-N-[(2-iodophenyl)carbamothioyl]-1H-pyrazole-5-carboxamide
4-chloro-1-ethyl-N-[(2-iodophenyl)carbamothioyl]-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-9739 |
| Compound Name: | 4-chloro-1-ethyl-N-[(2-iodophenyl)carbamothioyl]-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 434.68 |
| Molecular Formula: | C13 H12 Cl I N4 O S |
| Smiles: | CCn1c(C(NC(Nc2ccccc2I)=S)=O)c(cn1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5445 |
| logD: | 3.4994 |
| logSw: | -3.7208 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.496 |
| InChI Key: | DNKVDODOVRVGDK-UHFFFAOYSA-N |