Basic information
- Standard SMILES
CN1CCN(Cc2ccc3ncn(-c4nc(-c5ccc(C(F)(F)F)cc5)c(C(N)=O)s4)c3c2)CC1.O=C(O)C(F)(F)F- InChIKey
LXEXAAUGAKQHFP-UHFFFAOYSA-N- Molecular formula
- C26H24F6N6O3S
- Average molar mass
- 614.6 g/mol
Names & identifiers
- Preferred name
- 2-[6-(4-Methyl-piperazin-1-ylmethyl)-benzoimidazol-1-yl]-4-(4-trifluoromethyl-phenyl)thiazole-5-carboxylic acid amide trifluoroacetic acid salt
- IUPAC
- 2-[6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2,2,2-trifluoroacetic acid
Names & synonyms
2-[6-(4-methyl-piperazin-1-ylmethyl)-benzoimidazol-1-yl]-4-(4-trifluoromethyl-phenyl)thiazole-5-carboxylic acid amide trifluoroacetic acid saltSCHEMBL2541688
Database identifiers
- PubChem CID
- 86642852
Properties
Computed structural properties
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 5
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 827
Related reactions
1 records
Compound notes
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