4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-methylphenyl)carbamothioyl]benzamide
Chemical Structure Depiction of
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-methylphenyl)carbamothioyl]benzamide
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-methylphenyl)carbamothioyl]benzamide
Compound characteristics
| Compound ID: | Y501-0278 |
| Compound Name: | 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-methylphenyl)carbamothioyl]benzamide |
| Molecular Weight: | 429.34 |
| Molecular Formula: | C19 H17 Br N4 O S |
| Smiles: | Cc1ccccc1NC(NC(c1ccc(Cn2cc(cn2)[Br])cc1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.8865 |
| logD: | 3.8839 |
| logSw: | -3.8967 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.048 |
| InChI Key: | SWNJAUPIDAYKQB-UHFFFAOYSA-N |