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7-methoxy-N-[2-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyrrolidin-3-yl]naphthalene-2-sulfonamide (HCID 178487519)|Huagongshe
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Compound
7-methoxy-N-[2-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyrrolidin-3-yl]naphthalene-2-sulfonamide
HCID
178487519
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Properties
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Basic information
Standard SMILES
COc1ccc2ccc(S(=O)(=O)NC3CCN(NC4CCN(c5ccncc5)CC4)C3=O)cc2c1
InChIKey
RNOKFVCOKXPMQX-UHFFFAOYSA-N
Molecular formula
C25H29N5O4S
Average molar mass
495.6 g/mol
Monoisotopic mass
495.1940256
Names & identifiers
IUPAC
7-methoxy-N-[2-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]pyrrolidin-3-yl]naphthalene-2-sulfonamide
Database identifiers
PubChem CID
77679359
Properties
Computed structural properties
XLogP
2.9
Topological polar surface area
112 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
35
Formal charge
0
Complexity
822
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Related reactions
1 records
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As solvent
HRID
814298
As product
Test data from https://doi.org/10.1039/C8SC04228D
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