4,4,4-Trifluorobutane-1-sulfonic acid 4-[2-(2,4-dichlorophenyl)-5-methyl-4-(piperidin-1-ylcarbamoyl)imidazol-1-yl]-phenyl ester
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Basic information
- Standard SMILES
Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCCC(F)(F)F)cc1- InChIKey
XCOLFLWIXIBLIJ-UHFFFAOYSA-N- Molecular formula
- C26H27Cl2F3N4O4S
- Average molar mass
- 619.5 g/mol
- Monoisotopic mass
- 618.1082164
Names & identifiers
- Preferred name
- 4,4,4-Trifluorobutane-1-sulfonic acid 4-[2-(2,4-dichlorophenyl)-5-methyl-4-(piperidin-1-ylcarbamoyl)imidazol-1-yl]-phenyl ester
- IUPAC
- [4-[2-(2,4-dichlorophenyl)-5-methyl-4-(piperidin-1-ylcarbamoyl)imidazol-1-yl]phenyl] 4,4,4-trifluorobutane-1-sulfonate
Names & synonyms
CHEMBL40952234,4,4-Trifluorobutane-1-sulfonic acid 4-[2-(2,4-dichlorophenyl)-5-methyl-4-(piperidin-1-ylcarbamoyl)imidazol-1-yl]-phenyl esterSCHEMBL3093252BDBM50243589
Database identifiers
- PubChem CID
- 11664479
- ChEMBL
CHEMBL4095223
Properties
Computed structural propertiesFilling in
- XLogP
- 7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 943
Related reactions
2 records
Compound notes
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