5-(2-Ethoxy-5-{[4-(2-Hydroxyethyl)-1-Piperazinyl]Acetyl}Phenyl)-1-Methyl-3-Propyl-1,4-Dihydro-7H-Pyrazolo[4,3-D]Pyrimidin-7-One

Molecule SVG Image

Properties Simple | Detailed

Formula C25H34N6O4
IUPAC Name 5-[2-ethoxy-5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]phenyl]-1-methyl-3-propyl-4h-pyrazolo[4,3-d]pyrimidine-1,6-diium-7a-ylium-7-one
Molecular Mass 482.575 g·mol−1
Heat of Formation -317.3 ± 16.7 kJ·mol−1
Dipole Moment 7.84 ± 1.08 D
Volume 584.74 Å 3
Surface Area 499.91 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
InChIKey RZVZQPAGIOECPK-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N