(2E)-3-{5-[(2,4-Diamino-6-Ethyl-5-Pyrimidinyl)Methyl]-2,3-Dimethoxyphenyl}-1-[(1S)-1-(2-Methyl-1-Propen-1-Yl)-2(1H)-Phthalazinyl]-2-Propen-1-One

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Properties Simple | Detailed

Formula C30H34N6O3
IUPAC Name (e)-3-[5-[(2,4-diamino-6-ethyl-pyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]-1-[(1s)-1-(2-methylprop-1-enyl)-1h-phthalazin-2-yl]prop-2-en-1-one
Molecular Mass 526.629 g·mol−1
Heat of Formation -57.0 ± 16.7 kJ·mol−1
Dipole Moment 1.01 ± 1.08 D
Volume 636.99 Å 3
Surface Area 541.93 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
InChIKey CWIYQEZJRSEBAE-CJZRDCOESA-N
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