Formula |
C25H36N6O4S |
IUPAC Name |
3-(1-methyl-7-oxo-3-propyl-4h-pyrazolo[4,3-d]pyrimidin-5-yl)-n-[2-[(1s,2r)-1-methylpyrrolidin-2-yl]ethyl]-4-propoxy-benzenesulfonamide |
Molecular Mass |
516.656 g·mol−1 |
Heat of Formation |
-439.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.94 ± 1.08 D |
Volume |
624.87 Å 3 |
Surface Area |
483.8 Å 2 |
HOMO Energy |
-8.81 ± 0.55 eV |
LUMO Energy |
-1.09 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IYFNEFQTYQPVOC-QGZVFWFLSA-N |
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Elements |
H
S
C
O
N
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