2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
Chemical Structure Depiction of
2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
Compound characteristics
Compound ID: | 6850-0196 |
Compound Name: | 2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide |
Molecular Weight: | 491.63 |
Molecular Formula: | C25 H25 N5 O2 S2 |
Smiles: | CCc1c(C#N)c(nc2CC(C)(C)CC(c12)=O)SCC(Nc1nc(c2ccc(C)cc2)sn1)=O |
Stereo: | ACHIRAL |
logP: | 5.6884 |
logD: | 5.6884 |
logSw: | -5.5537 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 85.27 |
InChI Key: | ZQWUQAUIRQMIIG-UHFFFAOYSA-N |