1-(4-{[2-(1H-Indazol-4-Yl)-4-(4-Morpholinyl)Thieno[3,2-D]Pyrimidin-6-Yl]Methyl}-1-Piperazinyl)-6-Methyl-5-Heptene-1,4-Dione

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Properties Simple | Detailed

Formula C30H35N7O3S
IUPAC Name 1-[4-[[2-(5h-indazol-1-ium-5-id-4-yl)-4-morpholino-7h-thieno[3,2-d]pyrimidin-5-ium-7-id-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4-dione
Molecular Mass 573.709 g·mol−1
Heat of Formation 17.8 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 675.15 Å 3
Surface Area 577.05 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
InChIKey DLNUPKDFXMWRFP-UHFFFAOYSA-N
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