2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
Compound ID: | 4306-0437 |
Compound Name: | 2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
Molecular Weight: | 423.96 |
Molecular Formula: | C23 H22 Cl N3 O S |
Smiles: | Cc1ccc(cc1[Cl])N1C2CCCC(C=2C(C(C#N)=C1N)c1cc(C)sc1C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.1757 |
logD: | 5.1757 |
logSw: | -5.5833 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 53.395 |
InChI Key: | ZEPUVNSSMHOKPE-NRFANRHFSA-N |