5-Chloro-N-[(3S,4S)-1-(2-{[2-Fluoro-4-(2-Oxo-1(2H)-Pyridinyl)Phenyl]Amino}-2-Oxoethyl)-4-Methoxy-3-Pyrrolidinyl]-2-Thiophenecarboxamide

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Properties Simple | Detailed

Formula C23H22ClFN4O4S
IUPAC Name 5-chloro-n-[(1r,3s,4s)-1-[2-[2-fluoro-4-(2-oxo-1-pyridyl)anilino]-2-oxo-ethyl]-4-methoxy-pyrrolidin-3-yl]thiophene-2-carboxamide
Molecular Mass 504.962 g·mol−1
Heat of Formation -541.8 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 555.42 Å 3
Surface Area 475.88 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-n-[(3s,4s)-1-[2-[[2-fluoro-4-(2-keto-1-pyridyl)phenyl]amino]-2-keto-ethyl]-4-methoxy-pyrrolidin-3-yl]thiophene-2-carboxamide
  • 5-chloro-n-[(3s,4s)-1-[2-[[2-fluoro-4-(2-oxo-1-pyridyl)phenyl]amino]-2-oxo-ethyl]-4-methoxy-pyrrolidin-3-yl]thiophene-2-carboxamide
  • 5-chloro-n-[(3s,4s)-1-[2-[[2-fluoro-4-(2-oxo-1-pyridyl)phenyl]amino]-2-oxoethyl]-4-methoxy-3-pyrrolidinyl]-2-thiophenecarboxamide
  • 5-chloro-n-[(3s,4s)-1-[2-[[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]amino]-2-oxo-ethyl]-4-methoxy-pyrrolidin-3-yl]thiophene-2-carboxamide
InChIKey BOCLXHFYRGMFSC-ROUUACIJSA-N
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