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4-Methyl-2-[3-[(6-propan-2-yl-3-pyridinyl)methylcarbamoyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid

HCID 67409786
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1nc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C(C(=O)NCc3ccc(C(C)C)nc3)C2)sc1C(=O)O
InChIKey
AUGDCDUGDGUZNK-UHFFFAOYSA-N
Molecular formula
C26H28F3N5O6S2
Average molar mass
627.7 g/mol

Names & identifiers

Preferred name
4-Methyl-2-[3-[(6-propan-2-yl-3-pyridinyl)methylcarbamoyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid
IUPAC
4-methyl-2-[3-[(6-propan-2-yl-3-pyridinyl)methylcarbamoyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid

Names & synonyms

SCHEMBL2442521

Database identifiers

PubChem CID
67409786

Properties

Computed structural propertiesFilling in

XLogP
4.4
Topological polar surface area
179 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
14
Rotatable bonds
9
Heavy atoms
42
Formal charge
0
Complexity
1,050

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Related reactions

1 records
New reaction record
HRID 684307 reaction equation
HRID 684307As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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