N-({2-[2-(Trifluoromethyl)-4-Biphenylyl]-1-Benzothiophen-5-Yl}Methyl)-β-Alanine

Molecule SVG Image

Properties Simple | Detailed

Formula C25H20F3NO2S
IUPAC Name 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propanoic acid
Molecular Mass 455.492 g·mol−1
Heat of Formation -712.2 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 510.68 Å 3
Surface Area 450.12 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid
  • 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-5-benzothiophenyl]methylamino]propanoic acid
  • 3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]benzothiophen-5-yl]methylamino]propionic acid
InChIKey SKYYWSWIUKISCX-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