Formula |
C22H30N6O3S2 |
IUPAC Name |
5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4h-pyrazolo[4,3-d]pyrimidine-7-thione |
Molecular Mass |
490.642 g·mol−1 |
Heat of Formation |
-98.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.92 ± 1.08 D |
Volume |
572.41 Å 3 |
Surface Area |
466.97 Å 2 |
HOMO Energy |
-8.16 ± 0.55 eV |
LUMO Energy |
1.62 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4h-pyrazolo[5,4-e]pyrimidine-7-thione
- 5-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-methyl-3-propyl-4h-pyrazolo[5,4-e]pyrimidine-7-thione
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InChIKey |
LJUBVCQVNMLSTQ-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
S
C
O
N
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