[2-Fluoro-4-(4-methanesulfonyl-benzyloxy)-phenyl]-[2-(S)-(2-(R)-methyl-pyrrolidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone

HCID 11612583
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Basic information

Standard SMILES
C[C@@H]1CCCN1C[C@@H]1CCCN1C(=O)c1ccc(OCc2ccc(S(C)(=O)=O)cc2)cc1F
InChIKey
YNKKFVWURPSEDA-QUCCMNQESA-N
Molecular formula
C25H31FN2O4S
Average molar mass
474.6 g/mol
Monoisotopic mass
474.19885681

Names & identifiers

Preferred name
[2-Fluoro-4-(4-methanesulfonyl-benzyloxy)-phenyl]-[2-(S)-(2-(R)-methyl-pyrrolidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone
IUPAC
[2-fluoro-4-[(4-methylsulfonylphenyl)methoxy]phenyl]-[(2S)-2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrrolidin-1-yl]methanone

Names & synonyms

SCHEMBL3279469YNKKFVWURPSEDA-QUCCMNQESA-N[2-Fluoro-4-(4-methanesulfonyl-benzyloxy)-phenyl]-[2-(S)-(2-(R)-methyl-pyrrolidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone

Database identifiers

PubChem CID
11612583

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
75.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
33

Related reactions

1 records
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Compound notes

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