Formula |
C23H29N5O4S2 |
IUPAC Name |
[3-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholino-thieno[3,2-d]pyrimidin-2-yl]phenyl]methanol |
Molecular Mass |
503.637 g·mol−1 |
Heat of Formation |
-328.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.63 ± 1.08 D |
Volume |
565.13 Å 3 |
Surface Area |
482.32 Å 2 |
HOMO Energy |
-8.53 ± 0.55 eV |
LUMO Energy |
-0.98 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UTNWCQOGZIRULH-UHFFFAOYSA-N |
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Elements |
H
C
S
O
N
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