Basic information
- Standard SMILES
CN(CCCn1cccn1)C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1- InChIKey
XYVHQIYLQDLLNI-UHFFFAOYSA-N- Molecular formula
- C26H22ClF3N6OS
- Average molar mass
- 559 g/mol
- Monoisotopic mass
- 558.1216427
Names & identifiers
- Preferred name
- 5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-[methyl-(3-pyrazol-1-yl-propyl)-amino]-thiazol-4-one
- IUPAC
- 5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2-[methyl(3-pyrazol-1-ylpropyl)amino]-1,3-thiazol-4-one
Names & synonyms
5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-[methyl-(3-pyrazol-1-yl-propyl)-amino]-thiazol-4-oneSCHEMBL2283050
Database identifiers
- PubChem CID
- 67347490
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 920
Related reactions
2 records
Compound notes
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