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6-chloro-N-[1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]thieno[2,3-b]pyridine-2-sulfonamide (HCID 178509764)|Huagongshe
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Compound
6-chloro-N-[1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]thieno[2,3-b]pyridine-2-sulfonamide
HCID
178509764
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Basic information
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Basic information
Standard SMILES
N#Cc1cccc(CN2CCC(NS(=O)(=O)c3cc4ccc(Cl)nc4s3)C2=O)c1
InChIKey
RUDNULOWMIJUJD-UHFFFAOYSA-N
Molecular formula
C19H15ClN4O3S2
Average molar mass
446.9 g/mol
Monoisotopic mass
446.0274104
Names & identifiers
IUPAC
6-chloro-N-[1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]thieno[2,3-b]pyridine-2-sulfonamide
Database identifiers
PubChem CID
76117228
Properties
Computed structural properties
XLogP
3.4
Topological polar surface area
140 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
29
Formal charge
0
Complexity
780
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HRID
309301
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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