Basic information
- Standard SMILES
CCCCc1nn(-c2cc(NC(=O)CCC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1- InChIKey
CFQAEPBVILLRIS-UHFFFAOYSA-N- Molecular formula
- C36H35Cl2N5O5S
- Average molar mass
- 720.7 g/mol
Names & identifiers
- Preferred name
- 5-n-Butyl-2-[5-(butyrylamino)-2-chlorophenyl]-4-[[2'-[N-(2-chlorobenzoyl)-sulfamoyl]biphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- N-[2-[4-[[1-[5-(butanoylamino)-2-chlorophenyl]-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chlorobenzamide
Names & synonyms
CHEMBL341934SCHEMBL9146443CFQAEPBVILLRIS-UHFFFAOYSA-NBDBM500354565-n-Butyl-2-[5-(butyrylamino)-2-chlorophenyl]-4-[[2'-[N-(2-chlorobenzoyl)-sulfamoyl]biphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-oneN-(3-{3-Butyl-4-[2''-(2-chloro-benzoylsulfamoyl)-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-chloro-phenyl)-butyramide
Database identifiers
- PubChem CID
- 10439862
- ChEMBL
CHEMBL341934- Nikkaji
- J628.165F
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
2 records
Compound notes
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