N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
Chemical Structure Depiction of
N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0069 |
| Compound Name: | N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide |
| Molecular Weight: | 408.86 |
| Molecular Formula: | C20 H13 Cl N4 O2 S |
| Smiles: | c1cc(cnc1)C(NC(Nc1ccc(cc1)c1nc2cc(ccc2o1)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.191 |
| logD: | 4.1897 |
| logSw: | -4.6003 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.568 |
| InChI Key: | COHHYBNDHJZGFG-UHFFFAOYSA-N |