Formula |
C26H33N5O4S |
IUPAC Name |
[3-[isopropyl-[2-(3-methylsulfonyl-5-morpholino-anilino)pyrimidin-4-yl]amino]-4-methyl-phenyl]methanol |
Molecular Mass |
511.636 g·mol−1 |
Heat of Formation |
-397.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.73 ± 1.08 D |
Volume |
603.18 Å 3 |
Surface Area |
500.23 Å 2 |
HOMO Energy |
-8.47 ± 0.55 eV |
LUMO Energy |
2.56 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AAXNCGQOXAXDOW-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
S
O
N
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