2,2-Dimethyl-4-oxo-4-[4'-(1,3-thiazol-2-ylamino)-1,1'-biphenyl-4-yl]butanoic acid

HCID 11660908
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Basic information

Standard SMILES
CC(C)(CC(=O)c1ccc(-c2ccc(Nc3nccs3)cc2)cc1)C(=O)O
InChIKey
NDZAGQKOVZOFJP-UHFFFAOYSA-N
Molecular formula
C21H20N2O3S
Average molar mass
380.5 g/mol

Names & identifiers

Preferred name
2,2-Dimethyl-4-oxo-4-[4'-(1,3-thiazol-2-ylamino)-1,1'-biphenyl-4-yl]butanoic acid
IUPAC
2,2-dimethyl-4-oxo-4-[4-[4-(1,3-thiazol-2-ylamino)phenyl]phenyl]butanoic acid

Names & synonyms

SCHEMBL1748079NDZAGQKOVZOFJP-UHFFFAOYSA-N2,2-Dimethyl-4-oxo-4-[4'-(1,3-thiazol-2-ylamino)-1,1'-biphenyl-4-yl]butanoic acid

Database identifiers

PubChem CID
11660908

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
27

Related reactions

4 records
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Compound notes

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