5-{2-Ethoxy-5-[(4-Ethyl-1-Piperazinyl)Sulfonyl]Phenyl}-1-Methyl-3-Propyl-1,4-Dihydro-7H-Pyrazolo[4,3-D]Pyrimidine-7-Thione

Molecule SVG Image

Properties Simple | Detailed

Formula C23H32N6O3S2
IUPAC Name 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4h-pyrazolo[4,3-d]pyrimidine-7-thione
Molecular Mass 504.669 g·mol−1
Heat of Formation -119.3 ± 16.7 kJ·mol−1
Dipole Moment 9.89 ± 1.08 D
Volume 592.75 Å 3
Surface Area 487.56 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4h-pyrazolo[5,4-e]pyrimidine-7-thione
  • 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-4h-pyrazolo[5,4-e]pyrimidine-7-thione
  • 5-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-1-methyl-3-propyl-4h-pyrazolo[5,4-e]pyrimidine-7-thione
InChIKey BGPSRMUUQQTZFB-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N