[(1R,2R)-2-Phenylcyclopropyl][(2S,3As,7As)-2-(1,3-Thiazolidin-3-Ylcarbonyl)Octahydro-1H-Indol-1-Yl]Methanone

Molecule SVG Image

Properties Simple | Detailed

Formula C22H28N2O2S
IUPAC Name [(2s,3as,7as)-2-(thiazolidine-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1r,2r)-2-phenylcyclopropyl]methanone
Molecular Mass 384.535 g·mol−1
Heat of Formation -208.0 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 472.05 Å 3
Surface Area 383.07 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3as,7as)-2-(1,3-thiazolidin-3-ylcarbonyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1r,2r)-2-phenylcyclopropyl]methanone
  • [(2s,3as,7as)-2-(1,3-thiazolidine-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1r,2r)-2-phenylcyclopropyl]methanone
  • [(2s,3as,7as)-2-(thiazolidine-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1r,2r)-2-phenylcyclopropyl]methanone
  • [(2s,3as,7as)-2-[oxo-(3-thiazolidinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1r,2r)-2-phenylcyclopropyl]methanone
InChIKey NXSXRIHXEQSYEZ-KNJMJIDISA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N