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N-[3-[6-methyl-3-(3-thiophen-3-ylprop-2-enoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide (HCID 69554254)|Huagongshe
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Compound
N-[3-[6-methyl-3-(3-thiophen-3-ylprop-2-enoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
HCID
69554254
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Properties
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Basic information
Standard SMILES
CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)C=Cc3ccsc3)CC21
InChIKey
ZPCXTYGXXATZCJ-UHFFFAOYSA-N
Molecular formula
C20H22N2O3S2
Average molar mass
402.5 g/mol
Monoisotopic mass
402.10718492
Names & identifiers
Preferred name
N-[3-[6-methyl-3-(3-thiophen-3-ylprop-2-enoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
IUPAC
N-[3-[6-methyl-3-(3-thiophen-3-ylprop-2-enoyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide
Names & synonyms
SCHEMBL5753086
Database identifiers
PubChem CID
69554254
Properties
Computed structural properties
XLogP
2.8
Topological polar surface area
103 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Formal charge
0
Complexity
703
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HRID
125049
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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