Sesamodil

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Properties Simple | Detailed

Formula C29H32N2O6S
IUPAC Name (2r)-2-[2-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]propoxy]-5-methoxyphenyl]-4-methyl-1,4-benzothiazin-3-one
Molecular Mass 536.639 g·mol−1
Heat of Formation -607.2 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 623.85 Å 3
Surface Area 537.4 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[2-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methyl-amino]propoxy]-5-methoxy-phenyl]-4-methyl-1,4-benzothiazin-3-one
  • semotiadil
CAS Number(s)
  • 116476-13-2
InChIKey RKXVEXUAWGRFNP-MUUNZHRXSA-N
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