5-Ethyl-2-(5-{[4-(2-Hydroxyethyl)-1-Piperazinyl]Sulfonyl}-2-Propoxyphenyl)-7-Propyl-1,5-Dihydro-4H-Pyrrolo[3,2-D]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C26H44N5O5S+
IUPAC Name 5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-7-propyl-1,6-dihydropyrrolo[3,2-d]pyrimidine-2,3,4a,6,7,7a-hexaid-4-one
Molecular Mass 538.723 g·mol−1
Heat of Formation -663.6 ± 16.7 kJ·mol−1
Dipole Moment 10.74 ± 1.08 D
Volume 636.14 Å 3
Surface Area 526.31 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • 5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-7-propyl-1h-pyrrolo[2,3-e]pyrimidin-4-one
  • 5-ethyl-2-[5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-7-propyl-1h-pyrrolo[2,3-e]pyrimidin-4-one
InChIKey MIJFNYMSCFYZNY-UHFFFAOYSA-N
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