4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-chlorophenyl)carbamothioyl]benzamide
Chemical Structure Depiction of
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-chlorophenyl)carbamothioyl]benzamide
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-chlorophenyl)carbamothioyl]benzamide
Compound characteristics
| Compound ID: | Y501-0210 |
| Compound Name: | 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-chlorophenyl)carbamothioyl]benzamide |
| Molecular Weight: | 449.75 |
| Molecular Formula: | C18 H14 Br Cl N4 O S |
| Smiles: | C(c1ccc(cc1)C(NC(Nc1ccccc1[Cl])=S)=O)n1cc(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1425 |
| logD: | 4.1363 |
| logSw: | -4.3079 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.048 |
| InChI Key: | NGQMRSPTEXFROX-UHFFFAOYSA-N |