Formula |
C20H23N5O2S |
IUPAC Name |
2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-n-[(1s)-2-hydroxy-1-methyl-ethyl]-4-methyl-thiazole-5-carboxamide |
Molecular Mass |
397.494 g·mol−1 |
Heat of Formation |
-74.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.90 ± 1.08 D |
Volume |
466.95 Å 3 |
Surface Area |
427.38 Å 2 |
HOMO Energy |
-8.67 ± 0.55 eV |
LUMO Energy |
-1.47 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PEGXADGTBNRSGV-ZDUSSCGKSA-N |
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Elements |
H
C
S
O
N
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