Formula |
C23H27N3O4 |
IUPAC Name |
2-methyl-2-[4-[3-[5-oxo-1-(p-tolylmethyl)-1,2,4-triazole-1,2-diium-3-yl]propyl]phenoxy]propanoic acid |
Molecular Mass |
409.478 g·mol−1 |
Heat of Formation |
-473.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.15 ± 1.08 D |
Volume |
503.58 Å 3 |
Surface Area |
383.03 Å 2 |
HOMO Energy |
-9.43 ± 0.55 eV |
LUMO Energy |
-0.56 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 2-[4-[3-[5-keto-1-(4-methylbenzyl)-2h-1,2,4-triazol-3-yl]propyl]phenoxy]-2-methyl-propionic acid
- 2-methyl-2-[4-[3-[1-[(4-methylphenyl)methyl]-5-oxo-2h-1,2,4-triazol-3-yl]propyl]phenoxy]propanoic acid
- ly-518674
- ly-674
|
InChIKey |
PNHFDVSKDSLUFH-UHFFFAOYSA-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
|
|
|