Basic information
- Standard SMILES
CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2F)cc1F- InChIKey
JSIOYLLLTSFGGX-UHFFFAOYSA-N- Molecular formula
- C36H32F5N5O5S
- Average molar mass
- 741.7 g/mol
Names & identifiers
- Preferred name
- N-[2-[4-[[3-butyl-5-oxo-1-[5-(propanoylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-fluorobenzamide
- IUPAC
- N-[2-[4-[[3-butyl-5-oxo-1-[5-(propanoylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-fluorobenzamide
Names & synonyms
CHEMBL125280SCHEMBL9145045BDBM500307065-n-Butyl-2,4-dihydro-4-[[3-fluoro-2'-[N-(2-fluorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-2-[5-(propionylamino)-2-(trifluoromethyl)phenyl]-3H-1,2,4,-triazol-3-oneN-(3-{3-Butyl-4-[3-fluoro-2''-(2-fluoro-benzoylsulfamoyl)-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-trifluoromethyl-phenyl)-propionamideN-[2-[4-[[3-butyl-5-oxo-1-[5-(propanoylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-fluorobenzamide
Database identifiers
- PubChem CID
- 10259447
- ChEMBL
CHEMBL125280
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,410
Related reactions
2 records
Compound notes
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