5-bromo-N-{[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-{[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
5-bromo-N-{[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0007 |
| Compound Name: | 5-bromo-N-{[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}pyridine-3-carboxamide |
| Molecular Weight: | 483.41 |
| Molecular Formula: | C21 H15 Br N4 O S2 |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(cc1)NC(NC(c1cc(cnc1)[Br])=O)=S)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.7481 |
| logD: | 5.7375 |
| logSw: | -5.1556 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.296 |
| InChI Key: | WJSMFKLHLYDVRV-UHFFFAOYSA-N |