3-(3-Ethoxy-1-{4-[(2-Phenyl-1,3-Thiazol-4-Yl)Methoxy]Benzyl}-1H-Pyrazol-4-Yl)Propanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C25H25N3O4S
IUPAC Name 3-[5-ethoxy-2-[[4-[(2-phenylthiazol-4-yl)methoxy]phenyl]methyl]-3h-pyrazol-3-ylium-1-id-4-yl]propanoic acid
Molecular Mass 463.549 g·mol−1
Heat of Formation -211.3 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 550.24 Å 3
Surface Area 493.59 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3-ethoxy-1-[4-[(2-phenylthiazol-4-yl)methoxy]benzyl]pyrazol-4-yl]propionic acid
  • 3-[3-ethoxy-1-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid
  • 3-[3-ethoxy-1-[[4-[(2-phenyl-4-thiazolyl)methoxy]phenyl]methyl]-4-pyrazolyl]propanoic acid
  • 3-[3-ethoxy-1-[[4-[(2-phenylthiazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid
InChIKey SRFCAWATPLCLMG-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N