5-{[(1R,2S)-2-Aminocyclohexyl]Amino}-7-[(3,5-Dimethoxyphenyl)Amino]-2-(3-Hydroxyphenyl)[1,2,4]Triazolo[1,5-C]Pyrimidine-8-Carboxamide

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Formula C26H30N8O4
IUPAC Name 5-[[(1r,2s)-2-aminocyclohexyl]amino]-7-(3,5-dimethoxyanilino)-2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
Molecular Mass 518.568 g·mol−1
Heat of Formation -268.0 ± 16.7 kJ·mol−1
Dipole Moment 7.01 ± 1.08 D
Volume 591.73 Å 3
Surface Area 496.96 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
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InChIKey JQVIBYQWWUOARA-VQTJNVASSA-N
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