Basic information
- Standard SMILES
O=C1N=C(N2CCN(CC(F)F)CC2)SC1=Cc1ccc2c(cnn2Cc2ccc(Cl)cc2C(F)(F)F)c1- InChIKey
VAZCLFQIMJISLM-UHFFFAOYSA-N- Molecular formula
- C25H21ClF5N5OS
- Average molar mass
- 570 g/mol
Names & identifiers
- Preferred name
- 5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-[4-(2,2-difluoro-ethyl)-piperazin-1-yl]-thiazol-4-one
- IUPAC
- 5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1,3-thiazol-4-one
Names & synonyms
5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-[4-(2,2-difluoro-ethyl)-piperazin-1-yl]-thiazol-4-oneSCHEMBL1993483
Database identifiers
- PubChem CID
- 76756286
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 928
Related reactions
3 records
Compound notes
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