11-(4-(2-(2-Hydroxyethoxy)Ethyl)-1-Piperazinyl)Dibenzo(B,F)(1,4)Thiazepin-7-Ol

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Properties Simple | Detailed

Formula C21H25N3O3S
IUPAC Name 6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-2-ol
Molecular Mass 399.507 g·mol−1
Heat of Formation -202.4 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 470.1 Å 3
Surface Area 410.94 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-(7-hydroxy-4-dibenzo(b,f)(1,4)thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol
  • 6-[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]-2-benzo[b][1,5]benzothiazepinol
  • 6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,5]benzothiazepin-2-ol
  • 7-hydroxy ici 204636
  • dibenzo(b,f)(1,4)thiazepin-7-ol, 11-(4-(2-(2-hydroxyethoxy)ethyl)-1-piperazinyl)-
  • ici 214227
CAS Number(s)
  • 139079-39-3
InChIKey VEGVCHRFYPFJFO-UHFFFAOYSA-N
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