N-{3-[benzyl(propan-2-yl)amino]propyl}-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide
Compound characteristics
Compound ID: | K788-4876 |
Compound Name: | N-{3-[benzyl(propan-2-yl)amino]propyl}-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide |
Molecular Weight: | 498.69 |
Molecular Formula: | C30 H34 N4 O S |
Smiles: | CC(C)N(CCCNC(c1cc(Nc2cccc(c2)SC)nc2ccccc12)=O)Cc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 6.592 |
logD: | 4.6457 |
logSw: | -5.8232 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 45.901 |
InChI Key: | OQROMGKCEQBNBG-UHFFFAOYSA-N |