Formula |
C22H20ClFN4O4S |
IUPAC Name |
5-chloro-n-[(1r,3s,4s)-1-[2-[2-fluoro-4-(2-oxo-1-pyridyl)anilino]-2-oxo-ethyl]-4-hydroxy-pyrrolidin-3-yl]thiophene-2-carboxamide |
Molecular Mass |
490.935 g·mol−1 |
Heat of Formation |
-542.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.10 ± 1.08 D |
Volume |
539.68 Å 3 |
Surface Area |
468.35 Å 2 |
HOMO Energy |
-8.88 ± 0.55 eV |
LUMO Energy |
-1.37 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-chloro-n-[(3s,4s)-1-[2-[[2-fluoro-4-(2-keto-1-pyridyl)phenyl]amino]-2-keto-ethyl]-4-hydroxy-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-hydroxy-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-hydroxy-3-pyrrolidinyl]-2-thiophenecarboxamide
- 5-chloro-n-[(3s,4s)-1-[2-[[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]amino]-2-oxo-ethyl]-4-hydroxy-pyrrolidin-3-yl]thiophene-2-carboxamide
- 5-chloro-n-[(3s,4s)-1-[2-[[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]amino]-2-oxoethyl]-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide
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InChIKey |
ARAVOODWJJJNBY-IRXDYDNUSA-N |
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Elements |
C
Cl
H
F
O
N
S
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