4-bromo-N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-4-yl}-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-bromo-N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-4-yl}-1H-pyrazole-1-carbothioamide
4-bromo-N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-4-yl}-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | Y502-4952 |
| Compound Name: | 4-bromo-N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-4-yl}-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 396.69 |
| Molecular Formula: | C14 H11 Br Cl N5 S |
| Smiles: | C(c1ccccc1[Cl])n1cc(cn1)NC(n1cc(cn1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 3.3848 |
| logD: | 3.3648 |
| logSw: | -3.5268 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.547 |
| InChI Key: | YNJZAADYRLEARM-UHFFFAOYSA-N |