N-[2-Fluoro-4-(Methylsulfonyl)Phenyl]-6-[4-(3-Isopropyl-1,2,4-Oxadiazol-5-Yl)-1-Piperidinyl]-5-Nitro-4-Pyrimidinamine

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Formula C21H24FN7O5S
IUPAC Name n-(2-fluoro-4-methylsulfonylphenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
Molecular Mass 505.523 g·mol−1
Heat of Formation -276.7 ± 16.7 kJ·mol−1
Dipole Moment 7.45 ± 1.08 D
Volume 545.14 Å 3
Surface Area 474.89 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
InChIKey DGBKNTVAKIFYNU-UHFFFAOYSA-N
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