(2R)-2-[(1-Cyclopentyl-4-Oxo-7H-Pyrazolo[3,4-D]Pyrimidine-1,5-Diium-2-Id-6-Yl)Amino]-N-(4-Methoxyphenyl)Propanamide

Molecule SVG Image

Properties Simple | Detailed

Formula C20H24N6O3
IUPAC Name (2r)-2-[(1-cyclopentyl-4-oxo-7h-pyrazolo[3,4-d]pyrimidine-1,5-diium-2-id-6-yl)amino]-n-(4-methoxyphenyl)propanamide
Molecular Mass 396.443 g·mol−1
Heat of Formation -140.9 ± 16.7 kJ·mol−1
Dipole Moment 7.49 ± 1.08 D
Volume 465.92 Å 3
Surface Area 423.56 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey TWOXXEVXHSYYHT-GFCCVEGCSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N