4-{[(E)-2-(5-Chloro-2-Thienyl)Vinyl]Sulfonyl}-1-(1H-Pyrrolo[3,2-C]Pyridin-2-Ylmethyl)-2-Piperazinone

Molecule SVG Image

Properties Simple | Detailed

Formula C18H18ClN4O3S2
IUPAC Name (4s)-4-[(e)-2-(5-chloro-2-thienyl)vinyl]sulfonyl-1-(7h-pyrrolo[3,2-c]pyridine-1,5-diium-3a,7-diid-2-ylmethyl)piperazin-2-one
Molecular Mass 437.944 g·mol−1
Heat of Formation -113.2 ± 16.7 kJ·mol−1
Dipole Moment 7.54 ± 1.08 D
Volume 469.89 Å 3
Surface Area 410.44 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.97 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(e)-2-(5-chloro-2-thienyl)vinyl]sulfonyl-1-(1h-pyrrolo[4,5-c]pyridin-2-ylmethyl)-2-piperazinone
  • 4-[(e)-2-(5-chloro-2-thienyl)vinyl]sulfonyl-1-(1h-pyrrolo[4,5-c]pyridin-2-ylmethyl)piperazin-2-one
  • 4-[(e)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl-1-(1h-pyrrolo[4,5-c]pyridin-2-ylmethyl)piperazin-2-one
  • 4-[2-(5-chloro-2-thienyl)vinylsulfonyl]-1-(1h-pyrrolo[4,5-c]pyridin-2-ylmethyl)-2-piperazinone
  • 4-[2-(5-chloro-2-thienyl)vinylsulfonyl]-1-(1h-pyrrolo[4,5-c]pyridin-2-ylmethyl)piperazin-2-one
  • 4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-(1h-pyrrolo[4,5-c]pyridin-2-ylmethyl)piperazin-2-one
  • 4-{[(e)-2-(5-chlorothien-2-yl)vinyl]sulfonyl}-1-(1h-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
  • rrr
InChIKey PLWVUIRWJVKSSD-XBXARRHUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S