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1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide

HCID 178489331
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1ccccc1C1(N2CCCCC2C(=O)N(C)C)C(=O)N(S(=O)(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c2ccc(Cl)cc21
InChIKey
ITGNCFPTCRLLAQ-UHFFFAOYSA-N
Molecular formula
C33H32ClF6N3O7S
Average molar mass
764.1 g/mol
Monoisotopic mass
763.1553682

Names & identifiers

IUPAC
1-[1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-N,N-dimethylpiperidine-2-carboxamide

Database identifiers

PubChem CID
72582609

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
114 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
14
Rotatable bonds
10
Heavy atoms
51
Formal charge
0
Complexity
1,350

Related reactions

1 records
New reaction record
HRID 1146607 reaction equation
HRID 1146607As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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