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N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]isoquinoline-5-sulfonamide (HCID 76747747)|Huagongshe
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Compound
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]isoquinoline-5-sulfonamide
HCID
76747747
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Basic information
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Properties
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Basic information
Standard SMILES
NC1=NC(CCc2ccc(NS(=O)(=O)c3cccc4cnccc34)cc2)CO1
InChIKey
UNJWNYASORQYHE-UHFFFAOYSA-N
Molecular formula
C20H20N4O3S
Average molar mass
396.5 g/mol
Names & identifiers
Preferred name
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]isoquinoline-5-sulfonamide
IUPAC
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]isoquinoline-5-sulfonamide
Database identifiers
PubChem CID
76747747
Properties
Computed structural properties
XLogP
2.3
Topological polar surface area
115 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
28
Formal charge
0
Complexity
655
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As solvent
HRID
182726
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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