1-{2-[4-(6-Fluoro-1H-Indol-3-Yl)-3,6-Dihydro-1(2H)-Pyridinyl]Ethyl}-3-Isopropyl-6-(Methylsulfonyl)-3,4-Dihydro-1H-2,1,3-Benzothiadiazine 2,2-Dioxide

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Properties Simple | Detailed

Formula C26H31FN4O4S2
IUPAC Name (3r)-3-isopropyl-1-[2-[(1r)-4-(4-methyl-1h-pyrrol-3-yl)-3,6-dihydro-2h-pyridin-1-yl]ethyl]-6-methylsulfonyl-4h-2λ6,1,3-benzothiadiazine 2,2-dioxide fluoride
Molecular Mass 546.677 g·mol−1
Heat of Formation -562.5 ± 16.7 kJ·mol−1
Dipole Moment 7.02 ± 1.08 D
Volume 612.73 Å 3
Surface Area 513.09 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[2-[4-(6-fluoro-1h-indol-3-yl)-3,6-dihydro-2h-pyridin-1-yl]ethyl]-3-isopropyl-6-mesyl-4h-benzo[c][1,2,6]thiadiazine 2,2-dioxide
  • 1-[2-[4-(6-fluoro-1h-indol-3-yl)-3,6-dihydro-2h-pyridin-1-yl]ethyl]-3-isopropyl-6-methylsulfonyl-4h-benzo[c][1,2,6]thiadiazine 2,2-dioxide
  • 1-[2-[4-(6-fluoro-1h-indol-3-yl)-3,6-dihydro-2h-pyridin-1-yl]ethyl]-6-methylsulfonyl-3-propan-2-yl-4h-benzo[c][1,2,6]thiadiazine 2,2-dioxide
InChIKey QUSLYAPLTMMCFE-UHFFFAOYSA-N
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