5-bromo-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
5-bromo-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0005 |
| Compound Name: | 5-bromo-N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide |
| Molecular Weight: | 487.76 |
| Molecular Formula: | C20 H12 Br Cl N4 O2 S |
| Smiles: | c1cc(ccc1c1nc2cc(ccc2o1)[Cl])NC(NC(c1cc(cnc1)[Br])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.2943 |
| logD: | 5.2838 |
| logSw: | -6.0041 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.658 |
| InChI Key: | KFXJYBQWBMSMTJ-UHFFFAOYSA-N |