Formula |
C22H26N6O3S2 |
IUPAC Name |
n2-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)-4-piperidyl]ethyl]-n5-ethyl-thiophene-2,5-dicarboxamide |
Molecular Mass |
486.610 g·mol−1 |
Heat of Formation |
-228.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.24 ± 1.08 D |
Volume |
558.61 Å 3 |
Surface Area |
492.72 Å 2 |
HOMO Energy |
-8.79 ± 0.55 eV |
LUMO Energy |
-1.61 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IXDTWYVAYLILOL-UHFFFAOYSA-N |
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Elements |
H
C
S
O
N
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