N-(4-{[3-(2-Amino-4-Pyrimidinyl)-2-Pyridinyl]Oxy}Phenyl)-4-(4-Methyl-2-Thienyl)-1-Phthalazinamine

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Properties Simple | Detailed

Formula C28H21N7OS
IUPAC Name n-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridyl]oxy]phenyl]-4-(4-methyl-2-thienyl)phthalazin-1-amine
Molecular Mass 503.578 g·mol−1
Heat of Formation 657.8 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 570.02 Å 3
Surface Area 504.51 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C1
InChIKey IVUGFMLRJOCGAS-UHFFFAOYSA-N
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