5-bromo-N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
5-bromo-N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0012 |
| Compound Name: | 5-bromo-N-{[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide |
| Molecular Weight: | 481.37 |
| Molecular Formula: | C22 H17 Br N4 O2 S |
| Smiles: | Cc1cc2c(cc1C)oc(c1ccc(cc1)NC(NC(c1cc(cnc1)[Br])=O)=S)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.6357 |
| logD: | 5.6251 |
| logSw: | -5.229 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.658 |
| InChI Key: | YBCYUKHBJKOGJK-UHFFFAOYSA-N |