2-((5S)-2-(2-(2-(piperidin-1-yl)ethylamino)-3-fluorophenyl)-3-(3,3-dimethylbutyl)-4-oxothiazolidin-5-yl)acetic acid

HCID 57774371

Basic information

Standard SMILES
CC(C)(C)CCN1C(=O)[C@H](CC(=O)O)SC1c1cccc(F)c1NCCN1CCCCC1
InChIKey
URNWIMGLTVAGMA-HSTJUUNISA-N
Molecular formula
C24H36FN3O3S
Average molar mass
465.6 g/mol

Names & identifiers

Preferred name
2-((5S)-2-(2-(2-(piperidin-1-yl)ethylamino)-3-fluorophenyl)-3-(3,3-dimethylbutyl)-4-oxothiazolidin-5-yl)acetic acid
IUPAC
2-[(5S)-3-(3,3-dimethylbutyl)-2-[3-fluoro-2-(2-piperidin-1-ylethylamino)phenyl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

Names & synonyms

SCHEMBL2101994URNWIMGLTVAGMA-HSTJUUNISA-N2-((5S)-2-(2-(2-(piperidin-1-yl)ethylamino)-3-fluorophenyl)-3-(3,3-dimethylbutyl)-4-oxothiazolidin-5-yl)acetic acid

Database identifiers

PubChem CID
57774371

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
98.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
32

Related reactions

3 records

Compound notes

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