2-[(2-{[1-(N,N-Dimethylglycyl)-5-Methoxy-1H-Indol-6-Yl]Amino}-7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Amino]-6-Fluoro-N-Methylbenzamide

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Properties Simple | Detailed

Formula C27H28FN8O3
IUPAC Name 2-[[2-[[1-[2-(dimethylamino)acetyl]-5-methoxy-indol-1-ium-6-yl]amino]-7h-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-4-yl]amino]-6-fluoro-n-methyl-benzamide
Molecular Mass 531.561 g·mol−1
Heat of Formation -148.2 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 610.47 Å 3
Surface Area 525.09 Å 2
HOMO Energy -7.94 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
InChIKey DESOLSKAHZZIGK-UHFFFAOYSA-O
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