N-[(4-methylphenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
N-[(4-methylphenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K788-0143 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide |
| Molecular Weight: | 406.53 |
| Molecular Formula: | C21 H18 N4 O S2 |
| Smiles: | Cc1ccc(CNC(c2cc(nc3ccccc23)Sc2nnc(C)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8762 |
| logD: | 4.8762 |
| logSw: | -4.72 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.743 |
| InChI Key: | KWJRHQMEFZUOIM-UHFFFAOYSA-N |