4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)carbamothioyl]benzamide
Chemical Structure Depiction of
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)carbamothioyl]benzamide
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)carbamothioyl]benzamide
Compound characteristics
| Compound ID: | Y501-0212 |
| Compound Name: | 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)carbamothioyl]benzamide |
| Molecular Weight: | 445.34 |
| Molecular Formula: | C19 H17 Br N4 O2 S |
| Smiles: | COc1ccccc1NC(NC(c1ccc(Cn2cc(cn2)[Br])cc1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.8448 |
| logD: | 3.8446 |
| logSw: | -4.0311 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.678 |
| InChI Key: | NLTHBNQDXUQATI-UHFFFAOYSA-N |