Basic information
- Standard SMILES
CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1- InChIKey
RDBHKWULNZOJRH-UHFFFAOYSA-N- Molecular formula
- C26H25F3N4O3S
- Average molar mass
- 530.6 g/mol
Names & identifiers
- Preferred name
- 5-n-Butyl-2,4-dihydro-4-[(2'-sulfamoylbiphenyl-4-yl)methyl]-2-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one
- IUPAC
- 2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide
Names & synonyms
5-n-Butyl-2,4-dihydro-4-[(2'-sulfamoylbiphenyl-4-yl)methyl]-2-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-oneSCHEMBL9142943
Database identifiers
- PubChem CID
- 10346902
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 928
Related reactions
27 records
Compound notes
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