{Trans-2-[4-{2-[(Cyclopropylmethyl)Amino]-4-Pyrimidinyl}-5-(4-Fluorophenyl)-1H-Imidazol-2-Yl]-5-Methyl-1,3-Dioxan-5-Yl}(4-Methyl-1-Piperazinyl)Methanone

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Properties Simple | Detailed

Formula C28H34FN7O3
IUPAC Name [2-[5-[2-(cyclopropylmethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-ium-2-ylium-2-yl]-5-methyl-1,3-dioxan-5-yl]-(4-methylpiperazin-1-yl)methanone
Molecular Mass 535.613 g·mol−1
Heat of Formation -236.5 ± 16.7 kJ·mol−1
Dipole Moment 0.50 ± 1.08 D
Volume 632.85 Å 3
Surface Area 504.79 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
InChIKey LHVMOVISOAUTPX-FCMXBYMOSA-N
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