N-Methyl-N-{2-[({2-[(2-Oxo-2,3-Dihydro-1H-Indol-5-Yl)Amino]-5-(Trifluoromethyl)-4-Pyrimidinyl}Amino)Methyl]Phenyl}Methanesulfonamide

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Properties Simple | Detailed

Formula C22H21F3N6O3S
IUPAC Name n-methyl-n-[2-[[[2-[(2-oxoindolin-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
Molecular Mass 506.501 g·mol−1
Heat of Formation -837.8 ± 16.7 kJ·mol−1
Dipole Moment 10.16 ± 1.08 D
Volume 534.39 Å 3
Surface Area 447.87 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
InChIKey POJZIZBONPAWIV-UHFFFAOYSA-N
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