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

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Formula C22H27N5OS
IUPAC Name 2-amino-n-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide
Molecular Mass 409.548 g·mol−1
Heat of Formation 90.8 ± 16.7 kJ·mol−1
Dipole Moment 7.20 ± 1.08 D
Volume 491.41 Å 3
Surface Area 365.63 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 1192u90
  • 2-amino-n-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)benzamide
  • 2-amino-n-[4-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]butyl] benzamide
  • 2-amino-n-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]benzamide
  • 2-amino-n-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide
  • benzamide, 2-amino-n-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-
  • pdsp1_001055
  • pdsp2_001039
CAS Number(s)
  • 155289-31-9
InChIKey GMDXHLCLNHCEIC-UHFFFAOYSA-N
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