(3R,5S,6E)-7-{4-(4-Fluorophenyl)-6-Isopropyl-2-[Methyl(1-Methyl-1H-1,2,4-Triazol-5-Yl)Amino]-5-Pyrimidinyl}-3,5-Dihydroxy-6-Heptenoic Acid

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Properties Simple | Detailed

Formula C24H28FN6O4
IUPAC Name (e,3r,5s)-7-[4-(4-fluorophenyl)-2-[methyl-(2-methyl-1,2,4-triazol-3-yl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
Molecular Mass 483.515 g·mol−1
Heat of Formation -552.5 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 584.3 Å 3
Surface Area 482.14 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
InChIKey QAMJBKXUQQOLPQ-AQRBRUGDSA-N
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