Basic information
- Standard SMILES
CNC1CCCCN(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)S2)C1- InChIKey
KGBOLGNMABNCSS-UHFFFAOYSA-N- Molecular formula
- C26H25ClF3N5OS
- Average molar mass
- 548 g/mol
Names & identifiers
- Preferred name
- 5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-(3-methylamino-azepan-1-yl)-thiazol-4-one
- IUPAC
- 5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2-[3-(methylamino)azepan-1-yl]-1,3-thiazol-4-one
Names & synonyms
5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-(3-methylamino-azepan-1-yl)-thiazol-4-oneSCHEMBL1989874
Database identifiers
- PubChem CID
- 67239098
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 902
Related reactions
3 records
Compound notes
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