N-{1-[(2-Aminoethyl)Sulfanyl]-2-Propanyl}-6-Methoxy-4-Methyl-5-[3-(Trifluoromethyl)Phenoxy]-8-Quinolinamine

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Properties Simple | Detailed

Formula C23H26F3N3O2S
IUPAC Name n-[(1s)-2-(2-aminoethylsulfanyl)-1-methyl-ethyl]-6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine
Molecular Mass 465.532 g·mol−1
Heat of Formation -742.0 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 545.13 Å 3
Surface Area 418.6 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
InChIKey HRTHNSUIBCGKFY-HNNXBMFYSA-N
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