2-{[4-(2-{[(2,4-Difluorophenyl)Carbamoyl](Heptyl)Amino}Ethyl)Phenyl]Sulfanyl}-2-Methylpropanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C26H34F2N2O3S
IUPAC Name 2-[4-[2-[(2,4-difluorophenyl)carbamoyl-heptyl-amino]ethyl]phenyl]sulfanyl-2-methyl-propanoic acid
Molecular Mass 492.622 g·mol−1
Heat of Formation -964.1 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 606.99 Å 3
Surface Area 519.47 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[2-[(2,4-difluorophenyl)carbamoyl-heptylamino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid
  • 2-[[4-[2-[(2,4-difluorophenyl)carbamoyl-heptyl-amino]ethyl]phenyl]thio]-2-methyl-propionic acid
  • 2-[[4-[2-[[[(2,4-difluorophenyl)amino]-oxomethyl]-heptylamino]ethyl]phenyl]thio]-2-methylpropanoic acid
  • gw-9578
InChIKey KYQNYMXQHLMADB-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S