N-(4-{[3-(3,5-Dimethoxyphenyl)-7-{[4-(4-Methyl-1-Piperazinyl)Phenyl]Amino}-2-Oxo-3,4-Dihydropyrimido[4,5-D]Pyrimidin-1(2H)-Yl]Methyl}Phenyl)Propanamide

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Properties Simple | Detailed

Formula C35H40N8O4
IUPAC Name n-[4-[[3-(3,5-dimethoxyphenyl)-7-[4-(4-methylpiperazin-1-yl)anilino]-2-oxo-4h-pyrimido[4,5-d]pyrimidin-1-yl]methyl]phenyl]propanamide
Molecular Mass 636.743 g·mol−1
Heat of Formation -184.5 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 750.27 Å 3
Surface Area 648.73 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
InChIKey DKHGWJNITASDGF-UHFFFAOYSA-N
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