7-Azido-3-{2-[4-(4-Fluorobenzoyl)-1-Piperidinyl]Ethyl}-8-(~125~I)Iodo-2,4(1H,3H)-Quinazolinedione

Molecule SVG Image

Properties Simple | Detailed

Formula C21H18FIN6O3
IUPAC Name n-[2-[3-(4-fluorobenzoyl)penta-1,4-diynylamino]ethynyl]-2-(2-iodo-1-isocyanato-ethyl)but-3-ynamide; triazane
Molecular Mass 548.309 g·mol−1
Heat of Formation -106.9 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 537.45 Å 3
Surface Area 461.1 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.45 ± eV
Point Group Symmetry C1
Synonyms
  • 125i-azidoiodoketanserin
  • 2,4(1h,3h)-quinazolinedione, 7-azido-3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-8-(iodo-125i)-
  • 7-azido-8-iodoketanserin
  • azidoiodoketanserin
  • azik cpd
CAS Number(s)
  • 136769-36-3
InChIKey OALSEJAYBSRMHM-XXFZXMJFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F I H O N