5-[1-(4-chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-ethylsulfanyl-thiazol-4-one

HCID 67240123
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Basic information

Standard SMILES
CCSC1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1
InChIKey
QSPZDGDOCAZMDI-UHFFFAOYSA-N
Molecular formula
C21H15ClF3N3OS2
Average molar mass
481.9 g/mol

Names & identifiers

Preferred name
5-[1-(4-chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-ethylsulfanyl-thiazol-4-one
IUPAC
5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2-ethylsulfanyl-1,3-thiazol-4-one

Names & synonyms

5-[1-(4-chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-ethylsulfanyl-thiazol-4-oneSCHEMBL1992381

Database identifiers

PubChem CID
67240123

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
97.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
31

Related reactions

172 records
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Linked notes

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