N-[3-(cyclohexylsulfanyl)propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide
N-[3-(cyclohexylsulfanyl)propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide
Compound characteristics
Compound ID: | K788-6008 |
Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide |
Molecular Weight: | 479.64 |
Molecular Formula: | C27 H33 N3 O3 S |
Smiles: | COc1ccc(cc1OC)Nc1cc(C(NCCCSC2CCCCC2)=O)c2ccccc2n1 |
Stereo: | ACHIRAL |
logP: | 5.9155 |
logD: | 5.9151 |
logSw: | -5.6509 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.757 |
InChI Key: | SHONNAHXZVQFOT-UHFFFAOYSA-N |