1-[(2-Amino-4-Pyridyl)Methyl]-3-(2,4-Dioxo-1H-Thieno[3,4-D]Pyrimidin-3-Yl)-5-(Trifluoromethyl)Indole-2-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C22H16F3N5O4S++ |
IUPAC Name | 1-[(2-amino-4-pyridyl)methyl]-3-(2,4-dioxo-1h-thieno[3,4-d]pyrimidine-1,3-diium-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid |
Molecular Mass | 503.454 g·mol−1 |
Heat of Formation | -910.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.21 ± 1.08 D |
Volume | 512.78 Å 3 |
Surface Area | 419.98 Å 2 |
HOMO Energy | -8.84 ± 0.55 eV |
LUMO Energy | -1.31 ± eV |
Point Group Symmetry | C1 |
InChIKey | DKKCMDSCGHLOLY-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 |