1-(3,4,5-Trimethoxybenzyl)-3-(4-fluorophenylmethyl)-3-(3-methanesulfonyloxypropyl)-2-oxopyrrolidine

HCID 18464483
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Basic information

Standard SMILES
COc1cc(CN2CCC(CCCOS(C)(=O)=O)(Cc3ccc(F)cc3)C2=O)cc(OC)c1OC
InChIKey
YLLCWXZNQGEGLX-UHFFFAOYSA-N
Molecular formula
C25H32FNO7S
Average molar mass
509.6 g/mol
Monoisotopic mass
509.1883517

Names & identifiers

Preferred name
1-(3,4,5-Trimethoxybenzyl)-3-(4-fluorophenylmethyl)-3-(3-methanesulfonyloxypropyl)-2-oxopyrrolidine
IUPAC
3-[3-[(4-fluorophenyl)methyl]-2-oxo-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]propyl methanesulfonate

Names & synonyms

SCHEMBL6997482YLLCWXZNQGEGLX-UHFFFAOYSA-N1-(3,4,5-trimethoxybenzyl)-3-(4-fluorophenylmethyl)-3-(3-methanesulfonyloxypropyl)-2-oxopyrrolidine

Database identifiers

PubChem CID
18464483

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
99.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
12
Heavy atoms
35

Related reactions

15 records
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Compound notes

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