5-bromo-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
5-bromo-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0009 |
| Compound Name: | 5-bromo-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide |
| Molecular Weight: | 481.37 |
| Molecular Formula: | C22 H17 Br N4 O2 S |
| Smiles: | CCc1ccc2c(c1)nc(c1cccc(c1)NC(NC(c1cc(cnc1)[Br])=O)=S)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.7218 |
| logD: | 5.713 |
| logSw: | -5.1815 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.658 |
| InChI Key: | XUBAWDWDBPDLSW-UHFFFAOYSA-N |