Formula |
C21H23Cl2N5O2S |
IUPAC Name |
2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-n-ethyl-thieno[2,3-d]pyrimidine-6-carboxamide |
Molecular Mass |
480.411 g·mol−1 |
Heat of Formation |
-149.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.18 ± 1.08 D |
Volume |
539.03 Å 3 |
Surface Area |
415.07 Å 2 |
HOMO Energy |
-8.86 ± 0.55 eV |
LUMO Energy |
1.78 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WJUNQSYQHHIVFX-UHFFFAOYSA-N |
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Elements |
C
Cl
H
O
N
S
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