N-[(2-chlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
N-[(2-chlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K788-0151 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide |
| Molecular Weight: | 426.94 |
| Molecular Formula: | C20 H15 Cl N4 O S2 |
| Smiles: | Cc1nnc(Sc2cc(C(NCc3ccccc3[Cl])=O)c3ccccc3n2)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2348 |
| logD: | 5.2348 |
| logSw: | -5.4981 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.743 |
| InChI Key: | ISWLYWXSKMGZJE-UHFFFAOYSA-N |