N-{[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl}pyridine-3-carboxamide
Chemical Structure Depiction of
N-{[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl}pyridine-3-carboxamide
N-{[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0042 |
| Compound Name: | N-{[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl}pyridine-3-carboxamide |
| Molecular Weight: | 424.93 |
| Molecular Formula: | C20 H13 Cl N4 O S2 |
| Smiles: | c1ccc2c(c1)nc(c1cc(ccc1[Cl])NC(NC(c1cccnc1)=O)=S)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.9886 |
| logD: | 4.9874 |
| logSw: | -5.2426 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.207 |
| InChI Key: | JSXDLWPURAUKAZ-UHFFFAOYSA-N |