N-{4-[(3-{2-[(Trans-4-Aminocyclohexyl)Amino]-4-Pyrimidinyl}-2-Pyridinyl)Oxy]-3-Methyl-1-Naphthyl}-2-Chlorobenzenesulfonamide

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Properties Simple | Detailed

Formula C32H31ClN6O3S
IUPAC Name n-[4-[[3-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-2-pyridyl]oxy]-3-methyl-1-naphthyl]-2-chloro-benzenesulfonamide
Molecular Mass 615.145 g·mol−1
Heat of Formation -25.6 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 704.5 Å 3
Surface Area 570.02 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
InChIKey VMXTWHCDROGRNY-HZCBDIJESA-N
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