Formula |
C28H33N5O4S |
IUPAC Name |
1-[4-[[4-(2-isopropylsulfonylanilino)-1h-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-methoxy-phenyl]piperidin-4-ol |
Molecular Mass |
535.658 g·mol−1 |
Heat of Formation |
-314.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.66 ± 1.08 D |
Volume |
627.38 Å 3 |
Surface Area |
527.0 Å 2 |
HOMO Energy |
-7.95 ± 0.55 eV |
LUMO Energy |
-0.34 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
NMJMRSQTDLRCRQ-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
|
|
|