(2S)-2-{[1-(2-Chlorophenyl)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Yl]Oxy}-N-(5-Chloro-2-Pyridinyl)-3-(2-Hydroxyethoxy)Propanamide

Molecule SVG Image

Properties Simple | Detailed

Formula C21H18Cl2N6O4
IUPAC Name (2s)-2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-ium-2-id-4-yl]oxy-n-(5-chloro-2-pyridyl)-3-(2-hydroxyethoxy)propanamide
Molecular Mass 489.311 g·mol−1
Heat of Formation -141.5 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 520.34 Å 3
Surface Area 444.23 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
InChIKey KTWRHJPPIZQGRW-KRWDZBQOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Cl O N