Formula |
C29H34N10O3 |
IUPAC Name |
1-[4-(3-ethyl-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea |
Molecular Mass |
570.645 g·mol−1 |
Heat of Formation |
98.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.25 ± 1.08 D |
Volume |
669.25 Å 3 |
Surface Area |
569.13 Å 2 |
HOMO Energy |
-8.81 ± 0.55 eV |
LUMO Energy |
2.00 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZAXFYGBKZSQBIV-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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