Formula |
C25H26F2N6OS |
IUPAC Name |
(2s)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(7h-purin-6-ylsulfanyl)propan-2-ol |
Molecular Mass |
496.575 g·mol−1 |
Heat of Formation |
-66.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.88 ± 1.08 D |
Volume |
564.0 Å 3 |
Surface Area |
416.2 Å 2 |
HOMO Energy |
-8.97 ± 0.55 eV |
LUMO Energy |
-1.28 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-3-(7h-purin-6-ylthio)propan-2-ol
- (2s)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(7h-purin-6-ylsulfanyl)propan-2-ol
- (2s)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(7h-purin-6-ylthio)propan-2-ol
- 1-piperazineethanol, 4-(bis(4-fluorophenyl)methyl)-alpha-((1h-purin-6-ylthio)methyl)-
- carsatrin
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CAS Number(s) |
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InChIKey |
JOMBZLFCXNSKEQ-NRFANRHFSA-N |
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Links |
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Downloads |
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Elements |
C
F
H
O
N
S
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