Basic information
- Standard SMILES
CN(C)CCN(C)C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1- InChIKey
IGLFSUWOFUDZID-UHFFFAOYSA-N- Molecular formula
- C24H23ClF3N5OS
- Average molar mass
- 522 g/mol
- Monoisotopic mass
- 521.1263937
Names & identifiers
- Preferred name
- 5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-[(2-dimethylamino-ethyl)-methyl-amino]-thiazol-4-one
- IUPAC
- 5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-4-one
Names & synonyms
5-[1-(4-Chloro-2-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-[(2-dimethylamino-ethyl)-methyl-amino]-thiazol-4-oneSCHEMBL2276408
Database identifiers
- PubChem CID
- 67344613
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 838
Related reactions
2 records
Compound notes
Loading…