Formula |
C21H27N9O3S |
IUPAC Name |
4-[2-[(6-methoxy-3-pyridyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridyl]-6-methyl-1,3,5-triazin-2-amine |
Molecular Mass |
485.563 g·mol−1 |
Heat of Formation |
-91.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.77 ± 1.08 D |
Volume |
549.08 Å 3 |
Surface Area |
480.96 Å 2 |
HOMO Energy |
-8.27 ± 0.55 eV |
LUMO Energy |
-0.97 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RNTFRUPRTOCGJO-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
|
|
|