Formula |
C23H32N6O4S |
IUPAC Name |
5-[5-[(3r,5s)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-ethoxy-phenyl]-1-methyl-3-propyl-4h-pyrazolo[4,3-d]pyrimidin-7-one |
Molecular Mass |
488.603 g·mol−1 |
Heat of Formation |
-408.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.50 ± 1.08 D |
Volume |
576.0 Å 3 |
Surface Area |
456.58 Å 2 |
HOMO Energy |
-8.50 ± 0.55 eV |
LUMO Energy |
1.91 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-[5-[(3s,5r)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-ethoxy-phenyl]-1-methyl-3-propyl-4h-pyrazolo[5,4-e]pyrimidin-7-one
- 5-[5-[[(3s,5r)-3,5-dimethyl-1-piperazinyl]sulfonyl]-2-ethoxyphenyl]-1-methyl-3-propyl-4h-pyrazolo[5,4-e]pyrimidin-7-one
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InChIKey |
NFSWSZIPXJAYLR-GASCZTMLSA-N |
QR Code |
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Downloads |
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Elements |
H
S
C
O
N
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