N~2~-(1-Cyclopentyl-4-Oxo-4,7-Dihydro-1H-Pyrazolo[3,4-D]Pyrimidin-6-Yl)-N-(4-Methoxyphenyl)-D-Alaninamide

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Properties Simple | Detailed

Formula C20H31N6O3+
IUPAC Name (2r)-2-[(1-cyclopentyl-4-oxo-3,7-dihydropyrazolo[3,4-d]pyrimidine-2,3,3a,5,6,7a-hexaid-6-yl)amino]-n-(4-methoxyphenyl)propanamide
Molecular Mass 403.499 g·mol−1
Heat of Formation -140.9 ± 16.7 kJ·mol−1
Dipole Moment 7.49 ± 1.08 D
Volume 465.79 Å 3
Surface Area 423.41 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey UBBCZBKJYNXHGT-GFCCVEGCSA-N
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