2-[2-Ethoxy-5-(4-Ethylpiperazin-1-Yl)Sulfonyl-Phenyl]-5-Methyl-7-Propyl-Imidazo[5,1-F][1,2,4]Triazine-1,8-Diium-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C23H39N6O4S+
IUPAC Name 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-5-methyl-7-propyl-imidazo[5,1-f][1,2,4]triazine-1,8-diium-4-one
Molecular Mass 495.659 g·mol−1
Heat of Formation -320.0 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 575.48 Å 3
Surface Area 490.28 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
InChIKey RMBAZYAVXFVONQ-UHFFFAOYSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N