2-[(2R,6S)-2,6-Dimethyl-4-Morpholinyl]-N-{5-[6-(4-Morpholinyl)-4-Oxo-4H-Pyran-2-Yl]-9H-Thioxanthen-2-Yl}Acetamide

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Properties Simple | Detailed

Formula C23H39N3O5S
IUPAC Name (e)-[2-[(2s,6r)-2,6-dimethylmorpholin-4-yl]acetyl]-[(2z)-1-methyl-2-[(6z)-6-[2-(morpholinomethoxy)ethylidene]tetrahydrothiopyran-3-ylidene]ethylidene]ammonium hydrate
Molecular Mass 469.638 g·mol−1
Heat of Formation -563.5 ± 16.7 kJ·mol−1
Dipole Moment 11.16 ± 1.08 D
Volume 645.74 Å 3
Surface Area 530.46 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2s,6r)-2,6-dimethyl-4-morpholinyl]-n-[5-(6-morpholino-4-oxo-2-pyranyl)-9h-thioxanthen-2-yl]acetamide
  • 2-[(2s,6r)-2,6-dimethylmorpholin-4-yl]-n-[5-(4-keto-6-morpholino-pyran-2-yl)-9h-thioxanthen-2-yl]acetamide
  • 2-[(2s,6r)-2,6-dimethylmorpholin-4-yl]-n-[5-(6-morpholin-4-yl-4-oxo-pyran-2-yl)-9h-thioxanthen-2-yl]ethanamide
  • 2-[(2s,6r)-2,6-dimethylmorpholin-4-yl]-n-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9h-thioxanthen-2-yl]acetamide
  • 2-[(2s,6r)-2,6-dimethylmorpholin-4-yl]-n-[5-(6-morpholino-4-oxo-pyran-2-yl)-9h-thioxanthen-2-yl]acetamide
InChIKey SCELLOWTHJGVIC-BGYRXZFFSA-N
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