N-{4-[5-(1,3-Benzodioxol-5-Yl)-3-Methoxy-1H-1,2,4-Triazol-1-Yl]Phenyl}-2-(Phenylsulfanyl)Acetamide

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Formula C24H20N4O4S
IUPAC Name n-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanylacetamide
Molecular Mass 460.505 g·mol−1
Heat of Formation 403.7 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 519.3 Å 3
Surface Area 395.13 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • cytohesins inhibitor secinh3
  • n-(4-(5-(1,3-benzodioxol-5-yl)-3-methoxy-1h-1,2,4-triazol-1-yl)phenyl)-2-(phenylthio)acetamide
  • n-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-(phenylthio)acetamide
  • n-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanyl-acetamide
  • n-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanyl-ethanamide
  • secinh3
InChIKey QPGYAMIHXLCFTJ-UHFFFAOYSA-N
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