2-[2-[2-(4-Tert-butylpiperazin-1-yl)-3,5-difluorophenyl]-3-(3,3-dimethylbutyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

HCID 76602012
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Basic information

Standard SMILES
CC(C)(C)CCN1C(=O)C(CC(=O)O)SC1c1cc(F)cc(F)c1N1CCN(C(C)(C)C)CC1
InChIKey
UHVWVZOHKRGTFP-UHFFFAOYSA-N
Molecular formula
C25H37F2N3O3S
Average molar mass
497.6 g/mol

Names & identifiers

Preferred name
2-[2-[2-(4-Tert-butylpiperazin-1-yl)-3,5-difluorophenyl]-3-(3,3-dimethylbutyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
IUPAC
2-[2-[2-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]-3-(3,3-dimethylbutyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

Database identifiers

PubChem CID
76602012

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
89.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
34

Related reactions

1 records
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Linked notes

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