(2S)-2-[2-(3-{[2-(1,3-Benzodioxol-5-Yloxy)Ethyl](Methyl)Amino}Propoxy)-5-Methoxyphenyl]-4-Methyl-2H-1,4-Benzothiazin-3(4H)-One

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Properties Simple | Detailed

Formula C29H32N2O6S
IUPAC Name (2s)-2-[2-[3-[2-(6,7-dihydro-4h-1,3-benzodioxole-4,6,7-triid-5-yloxy)ethyl-methyl-amino]propoxy]-5-methoxy-phenyl]-4-methyl-1,4-benzothiazin-3-one
Molecular Mass 536.639 g·mol−1
Heat of Formation 734.2 ± 16.7 kJ·mol−1
Dipole Moment 27.49 ± 1.08 D
Volume 618.87 Å 3
Surface Area 471.66 Å 2
HOMO Energy -6.19 ± 0.55 eV
LUMO Energy -2.64 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[2-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methyl-amino]propoxy]-5-methoxy-phenyl]-4-methyl-1,4-benzothiazin-3-one
  • (2s)-2-[2-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]propoxy]-5-methoxyphenyl]-4-methyl-1,4-benzothiazin-3-one
InChIKey RKXVEXUAWGRFNP-NDEPHWFRSA-N
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