4-chloro-N-[(4-iodophenyl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-N-[(4-iodophenyl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
4-chloro-N-[(4-iodophenyl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-9748 |
| Compound Name: | 4-chloro-N-[(4-iodophenyl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 434.68 |
| Molecular Formula: | C13 H12 Cl I N4 O S |
| Smiles: | Cc1c(c(C(NC(Nc2ccc(cc2)I)=S)=O)n(C)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8065 |
| logD: | 3.8024 |
| logSw: | -4.4988 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.109 |
| InChI Key: | VEGFBXSMWVGZTP-UHFFFAOYSA-N |