(2S)-1-{4-[Bis(4-Fluorophenyl)Methyl]-1-Piperazinyl}-3-(7H-Purin-6-Ylsulfanyl)-2-Propanol

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Properties Simple | Detailed

Formula C25H26F2N6OS
IUPAC Name (2s)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-purin-7-ium-6-ylium-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
Synonyms
  • (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
CAS Number(s)
  • 125363-87-3
InChIKey JOMBZLFCXNSKEQ-NRFANRHFSA-N
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