Formula |
C36H59N7O2 |
IUPAC Name |
n-(1-cyclohexyl-4-piperidyl)-2-[(1r,4s)-4-isopropyl-1,4-diazepan-1-yl]-6-methoxy-7-[3-(1-piperidyl)propoxy]quinazolin-4-amine |
Molecular Mass |
621.899 g·mol−1 |
Heat of Formation |
-293.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.44 ± 1.08 D |
Volume |
809.93 Å 3 |
Surface Area |
604.4 Å 2 |
HOMO Energy |
-7.78 ± 0.55 eV |
LUMO Energy |
-0.45 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OUKWLRHRXOPODD-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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