Basic information
- Standard SMILES
CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2cc(CCC)ccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1- InChIKey
RGUYQWOEKYEDNB-UHFFFAOYSA-N- Molecular formula
- C36H34ClF3N4O4S
- Average molar mass
- 711.2 g/mol
Names & identifiers
- Preferred name
- 4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-5-propyl-biphenyl-2-sulfonic acid 2-chloro-benzoylamide
- IUPAC
- N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]-4-propylphenyl]sulfonyl-2-chlorobenzamide
Names & synonyms
CHEMBL316299SCHEMBL9142855RGUYQWOEKYEDNB-UHFFFAOYSA-NBDBM502837614''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-5-propyl-biphenyl-2-sulfonic acid 2-chloro-benzoylamide5-n-Butyl-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]-5'-n-propylbiphenyl-4-yl]methyl]-2,4-dihydro-2-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one
Database identifiers
- PubChem CID
- 19939409
- ChEMBL
CHEMBL316299
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
1 records
Compound notes
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