Basic information
- Standard SMILES
CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3F)c2=O)c1- InChIKey
JWYRIVABJXWPRG-UHFFFAOYSA-N- Molecular formula
- C37H36Cl2FN5O5S
- Average molar mass
- 752.7 g/mol
Names & identifiers
- Preferred name
- 5-n-Butyl-2-[5-(N-n-butylcarbamoyl)-2-chlorophenyl]-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]-3-fluorobiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- N-butyl-3-[3-butyl-4-[[4-[2-[(2-chlorobenzoyl)sulfamoyl]phenyl]-2-fluorophenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-chlorobenzamide
Names & synonyms
CHEMBL339004SCHEMBL9141967JWYRIVABJXWPRG-UHFFFAOYSA-NBDBM500306975-n-Butyl-2-[5-(N-n-butylcarbamoyl)-2-chlorophenyl]-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]-3-fluorobiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-oneN-Butyl-3-{3-butyl-4-[2''-(2-chloro-benzoylsulfamoyl)-3-fluoro-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-chloro-benzamide
Database identifiers
- PubChem CID
- 10101608
- ChEMBL
CHEMBL339004- Nikkaji
- J696.707H
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,350
Related reactions
1 records
Compound notes
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