N-(4-Cyano-1-Oxo-1H-Pyrido[2,1-B][1,3]Benzothiazol-2-Yl)Benzamide

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Properties Simple | Detailed

Formula C19H11N3O2S
IUPAC Name n-(4-cyano-1-oxo-pyrido[2,1-b][1,3]benzothiazol-2-yl)benzamide
Molecular Mass 345.375 g·mol−1
Heat of Formation 143.0 ± 16.7 kJ·mol−1
Dipole Moment 6.90 ± 1.08 D
Volume 375.75 Å 3
Surface Area 343.75 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • 2-benzamido-4-cyano-1-oxo-1h,5h-pyrido(1,2-a)benzimidazole
  • bcopb
  • benzamide, n-(4-cyano-1-oxo-1h-pyrido(2,1-b)benzothiazol-2-yl)-
  • n-(4-cyano-1-keto-pyrido[6,1-b][1,3]benzothiazol-2-yl)benzamide
  • n-(4-cyano-1-oxo-1h-pyrido(2,1-b)benzothiazol-2-yl)benzamide
  • n-(4-cyano-1-oxo-2-pyrido[6,1-b][1,3]benzothiazolyl)benzamide
  • n-(4-cyano-1-oxo-pyrido[6,1-b][1,3]benzothiazol-2-yl)benzamide
  • n-(4-cyano-1-oxopyrido[6,1-b][1,3]benzothiazol-2-yl)benzamide
CAS Number(s)
  • 103897-17-2
InChIKey KAXHLAWYOJLEFP-UHFFFAOYSA-N
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