3-(1-Methyl-7-Oxo-3-Propyl-4,7-Dihydro-1H-Pyrazolo[4,3-D]Pyrimidin-5-Yl)-N-{2-[(2R)-1-Methyl-2-Pyrrolidinyl]Ethyl}-4-Propoxybenzenesulfonamide

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Properties Simple | Detailed

Formula C25H36N6O4S
IUPAC Name 3-(1-methyl-7-oxo-3-propyl-4h-pyrazolo[4,3-d]pyrimidin-5-yl)-n-[2-[(1s,2r)-1-methylpyrrolidin-2-yl]ethyl]-4-propoxy-benzenesulfonamide
Molecular Mass 516.656 g·mol−1
Heat of Formation -439.6 ± 16.7 kJ·mol−1
Dipole Moment 6.94 ± 1.08 D
Volume 624.87 Å 3
Surface Area 483.8 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
InChIKey IYFNEFQTYQPVOC-QGZVFWFLSA-N
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