{[2-({[5-(2,6-Dimethoxyphenyl)-1,2,4-Triazin-3-Yl]Amino}Methyl)-1,3-Benzothiazol-5-Yl]Oxy}Acetic Acid
Properties
Property | Value |
---|---|
Formula | C21H19N5O5S |
IUPAC Name | 2-[[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-yl]oxy]acetic acid |
Molecular Mass | 453.471 g·mol−1 |
Heat of Formation | -260.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.91 ± 1.08 D |
Volume | 501.05 Å 3 |
Surface Area | 447.71 Å 2 |
HOMO Energy | -8.75 ± 0.55 eV |
LUMO Energy | 2.04 ± eV |
Point Group Symmetry | C1 |
InChIKey | CNAYNNSUTSXUJE-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |