(2R)-2-(4-{2-[1,3-Benzoxazol-2-Yl(Heptyl)Amino]Ethyl}Phenoxy)-2-Methylbutanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C27H36N2O4
IUPAC Name (2r)-2-[4-[2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl]phenoxy]-2-methyl-butanoic acid
Molecular Mass 452.586 g·mol−1
Heat of Formation -613.6 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 582.79 Å 3
Surface Area 455.88 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[4-[2-(1,3-benzoxazol-2-yl-heptyl-amino)ethyl]phenoxy]-2-methyl-butanoic acid
  • (2r)-2-[4-[2-(1,3-benzoxazol-2-yl-heptyl-amino)ethyl]phenoxy]-2-methyl-butyric acid
  • (2r)-2-[4-[2-(1,3-benzoxazol-2-yl-heptylamino)ethyl]phenoxy]-2-methylbutanoic acid
  • drj
InChIKey QPKIEBNVIOELIR-HHHXNRCGSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N