Formula |
C25H29ClN6O3 |
IUPAC Name |
n-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]propanamide |
Molecular Mass |
496.989 g·mol−1 |
Heat of Formation |
-166.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.91 ± 1.08 D |
Volume |
582.85 Å 3 |
Surface Area |
460.55 Å 2 |
HOMO Energy |
-7.94 ± 0.55 eV |
LUMO Energy |
2.75 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SDGJBAUIGHSMRI-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
N
O
Cl
|
|
|