2-[3-(3,3-Dimethylbutyl)-2-[3-fluoro-2-(3-fluoropyrrolidin-1-yl)phenyl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

HCID 76602001
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Basic information

Standard SMILES
CC(C)(C)CCN1C(=O)C(CC(=O)O)SC1c1cccc(F)c1N1CCC(F)C1
InChIKey
CRCXFNNWCBEFCB-UHFFFAOYSA-N
Molecular formula
C21H28F2N2O3S
Average molar mass
426.5 g/mol

Names & identifiers

Preferred name
2-[3-(3,3-Dimethylbutyl)-2-[3-fluoro-2-(3-fluoropyrrolidin-1-yl)phenyl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
IUPAC
2-[3-(3,3-dimethylbutyl)-2-[3-fluoro-2-(3-fluoropyrrolidin-1-yl)phenyl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

Database identifiers

PubChem CID
76602001

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
86.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
29

Related reactions

1 records
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Compound notes

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