2-[5-(Acetylamino)-2-chlorophenyl]-5-n-butyl-4-[[2'-[N-(2-chlorobenzoyl)-sulfamoyl]-3-fluoro-5'-n-propylbiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(-c2cc(CCC)ccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F- InChIKey
IOTNAIBDHBSLIU-UHFFFAOYSA-N- Molecular formula
- C37H36Cl2FN5O5S
- Average molar mass
- 752.7 g/mol
- Monoisotopic mass
- 751.179824
Names & identifiers
- Preferred name
- 2-[5-(Acetylamino)-2-chlorophenyl]-5-n-butyl-4-[[2'-[N-(2-chlorobenzoyl)-sulfamoyl]-3-fluoro-5'-n-propylbiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- N-[2-[4-[[1-(5-acetamido-2-chlorophenyl)-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]-4-propylphenyl]sulfonyl-2-chlorobenzamide
Names & synonyms
CHEMBL321531SCHEMBL9145250IOTNAIBDHBSLIU-UHFFFAOYSA-NBDBM502837632-[5-(Acetylamino)-2-chlorophenyl]-5-n-butyl-4-[[2'-[N-(2-chlorobenzoyl)-sulfamoyl]-3-fluoro-5'-n-propylbiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-oneN-(3-{3-Butyl-4-[2''-(2-chloro-benzoylsulfamoyl)-3-fluoro-5''-propyl-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-chloro-phenyl)-acetamide
Database identifiers
- PubChem CID
- 10078800
- ChEMBL
CHEMBL321531
Properties
Computed structural propertiesFilling in
- XLogP
- 7.9
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,370
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Related reactions
1 records
Compound notes
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