Formula |
C32H36N8O4S |
IUPAC Name |
1-[4-[methyl-[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea |
Molecular Mass |
628.744 g·mol−1 |
Heat of Formation |
-183.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.41 ± 1.08 D |
Volume |
738.53 Å 3 |
Surface Area |
631.14 Å 2 |
HOMO Energy |
-8.39 ± 0.55 eV |
LUMO Energy |
-0.36 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HKWWFBIVSCKLOB-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
|
|
|