5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide
Chemical Structure Depiction of
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-0095 |
| Compound Name: | 5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide |
| Molecular Weight: | 486.72 |
| Molecular Formula: | C16 H12 Cl I N4 O2 S |
| Smiles: | C(c1ccc(C(NC(Nc2ccccc2I)=S)=O)o1)n1cc(cn1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0291 |
| logD: | 4.028 |
| logSw: | -4.3831 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.889 |
| InChI Key: | CJOMXULMVJOTPO-UHFFFAOYSA-N |