3-(5-Chloro-2-Thienyl)-N-{(3S)-1-[(2S)-1-(4-Morpholinyl)-1-Oxo-2-Propanyl]-2-Oxo-3-Pyrrolidinyl}-1H-1,2,4-Triazole-5-Sulfonamide

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Properties Simple | Detailed

Formula C17H21ClN6O5S2
IUPAC Name 5-(5-chloro-2-thienyl)-n-[(3s)-1-[(1s)-1-methyl-2-morpholino-2-oxo-ethyl]-2-oxo-pyrrolidin-3-yl]-4-aza-1-azonia-2-azanidacyclopenta-3,5-diene-3-sulfonamide
Molecular Mass 488.969 g·mol−1
Heat of Formation -534.4 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 512.56 Å 3
Surface Area 385.13 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.80 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(5-chloro-2-thienyl)-n-[(3s)-1-[(1s)-1-methyl-2-morpholino-2-oxo-ethyl]-2-oxo-pyrrolidin-3-yl]-2h-1,2,4-triazole-3-sulfonamide
  • 5-(5-chloro-2-thienyl)-n-[(3s)-1-[(1s)-1-methyl-2-morpholino-2-oxoethyl]-2-oxo-3-pyrrolidinyl]-2h-1,2,4-triazole-3-sulfonamide
  • 5-(5-chloro-2-thienyl)-n-[(3s)-2-keto-1-[(1s)-2-keto-1-methyl-2-morpholino-ethyl]pyrrolidin-3-yl]-2h-1,2,4-triazole-3-sulfonamide
  • 5-(5-chlorothiophen-2-yl)-n-[(3s)-1-[(2s)-1-morpholin-4-yl-1-oxo-propan-2-yl]-2-oxo-pyrrolidin-3-yl]-2h-1,2,4-triazole-3-sulfonamide
  • 5-(5-chlorothiophen-2-yl)-n-[(3s)-1-[(2s)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-2h-1,2,4-triazole-3-sulfonamide
  • g15
InChIKey FKCQUVAGEOSYRU-QWRGUYRKSA-N
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