({5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-4-oxo-4,5-dihydro-thiazol-2-yl}-methyl-amino)-acetic acid

HCID 67345415
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Basic information

Standard SMILES
CN(CC(=O)O)C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1
InChIKey
RSMIJMKANKEKKG-UHFFFAOYSA-N
Molecular formula
C22H16ClF3N4O3S
Average molar mass
508.9 g/mol
Monoisotopic mass
508.0583737

Names & identifiers

Preferred name
({5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-4-oxo-4,5-dihydro-thiazol-2-yl}-methyl-amino)-acetic acid
IUPAC
2-[[5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]-methylamino]acetic acid

Names & synonyms

({5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-4-oxo-4,5-dihydro-thiazol-2-yl}-methyl-amino)-acetic acidSCHEMBL2278257

Database identifiers

PubChem CID
67345415

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
113 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
34

Related reactions

2 records
New reaction record

Compound notes

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