(2E)-3-{5-[(2,4-Diamino-5-Pyrimidinyl)Methyl]-2,3-Dimethoxyphenyl}-1-(1-Phenyl-2(1H)-Phthalazinyl)-2-Propen-1-One

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Properties Simple | Detailed

Formula C30H28N6O3
IUPAC Name (e)-3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]-1-[(1s)-1-phenyl-1h-phthalazin-2-yl]prop-2-en-1-one
Molecular Mass 520.582 g·mol−1
Heat of Formation 128.9 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 608.92 Å 3
Surface Area 522.36 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
InChIKey NFQBNKYRVDDBSW-QSRYBZNWSA-N
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