10-(4-Methyl-1-Piperazinyl)Pyrido[4,3-B][1,4]Benzothiazepine

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Properties Simple | Detailed

Formula C17H18N4S
IUPAC Name 6-(4-methylpiperazin-1-yl)pyrido[4,3-b][1,4]benzothiazepine
Molecular Mass 310.417 g·mol−1
Heat of Formation 377.4 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 367.93 Å 3
Surface Area 317.74 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 10-(4-methylpiperazin-1-yl)pyrido(4,3-b)(1,4)benzothiazepine
  • 6-(4-methyl-1-piperazinyl)pyrido[4,3-b][1,4]benzothiazepine
  • jl3 compound
CAS Number(s)
  • 136772-40-2
InChIKey GCTKZGZNZBTSIN-UHFFFAOYSA-N
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