4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide
Chemical Structure Depiction of
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide
Compound characteristics
| Compound ID: | Y501-2072 |
| Compound Name: | 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide |
| Molecular Weight: | 494.75 |
| Molecular Formula: | C18 H13 Br Cl N5 O3 S |
| Smiles: | C(c1ccc(cc1)C(NC(Nc1ccc(cc1[Cl])[N+]([O-])=O)=S)=O)n1cc(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3339 |
| logD: | 4.2729 |
| logSw: | -4.5017 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.429 |
| InChI Key: | CGBMKGYLLPJXQN-UHFFFAOYSA-N |