Formula |
C31H31N5O3 |
IUPAC Name |
3-(dimethylamino)-n-[3-[4-[[(1s)-2-hydroxy-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]propanamide |
Molecular Mass |
521.610 g·mol−1 |
Heat of Formation |
-16.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.03 ± 1.08 D |
Volume |
633.56 Å 3 |
Surface Area |
518.38 Å 2 |
HOMO Energy |
-8.46 ± 0.55 eV |
LUMO Energy |
-0.72 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ASCVQXWPIHGQIB-RUZDIDTESA-N |
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Elements |
H
C
O
N
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