| Formula |
C26H29N5O3S |
| IUPAC Name |
3,5-dimethyl-4-[2-[[1-[(4-methylsulfonylphenyl)methyl]-4-piperidyl]amino]pyrimidin-4-yl]oxy-benzonitrile |
| Molecular Mass |
491.605 g·mol−1 |
| Heat of Formation |
-99.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.84 ± 1.08 D |
| Volume |
586.92 Å 3 |
| Surface Area |
506.61 Å 2 |
| HOMO Energy |
-9.20 ± 0.55 eV |
| LUMO Energy |
-1.01 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
LPBHCIIMBZNWQE-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
|
| |
|
