4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
Chemical Structure Depiction of
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
Compound characteristics
| Compound ID: | Y500-9685 |
| Compound Name: | 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-hydroxyphenyl)carbamothioyl]benzamide |
| Molecular Weight: | 431.31 |
| Molecular Formula: | C18 H15 Br N4 O2 S |
| Smiles: | C(c1ccc(cc1)C(NC(Nc1ccccc1O)=S)=O)n1cc(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.6236 |
| logD: | 3.6226 |
| logSw: | -3.3982 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.596 |
| InChI Key: | UJGQNWJEQJWHNZ-UHFFFAOYSA-N |