2-{4-[4-(1,2-Benzothiazol-3-Yl)-1-Piperazinyl]Butyl}-1-Isoindolinone

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Properties Simple | Detailed

Formula C23H26N4OS
IUPAC Name 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]isoindolin-1-one
Molecular Mass 406.544 g·mol−1
Heat of Formation 192.3 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 490.74 Å 3
Surface Area 386.57 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-isoindol-1-one, 2-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-2,3-dihydro-
  • 2-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-2,3-dihydro-1h-isoindol-1-one
  • 2-(4-(4-(1,2-benzisothiazol-3-yl)piperazin-1-yl)butyl)-1-isoindolinone
  • 2-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-1-isoindolinone
  • bpbii
CAS Number(s)
  • 155288-46-3
InChIKey ZPAUMFOJNAADJN-UHFFFAOYSA-N
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