N-[2-(3-methylphenyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(3-methylphenyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
N-[2-(3-methylphenyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K788-0123 |
| Compound Name: | N-[2-(3-methylphenyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C22 H20 N4 O S2 |
| Smiles: | Cc1cccc(CCNC(c2cc(nc3ccccc23)Sc2nnc(C)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.977 |
| logD: | 4.977 |
| logSw: | -4.7563 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.585 |
| InChI Key: | NLSMVWVKUZYWLR-UHFFFAOYSA-N |