2-[5-Amino-2-(trifluoromethyl)phenyl]-5-n-butyl-4-[[2'-(N-t-butylsulfamoyl)biphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

HCID 10100136
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Basic information

Standard SMILES
CCCCc1nn(-c2cc(N)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1
InChIKey
BRPARIWSZZKMDK-UHFFFAOYSA-N
Molecular formula
C30H34F3N5O3S
Average molar mass
601.7 g/mol

Names & identifiers

Preferred name
2-[5-Amino-2-(trifluoromethyl)phenyl]-5-n-butyl-4-[[2'-(N-t-butylsulfamoyl)biphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
IUPAC
2-[4-[[1-[5-amino-2-(trifluoromethyl)phenyl]-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]-N-tert-butylbenzenesulfonamide

Names & synonyms

SCHEMBL9145221BRPARIWSZZKMDK-UHFFFAOYSA-N2-[5-Amino-2-(trifluoromethyl)phenyl]-5-n-butyl-4-[[2'-(N-t-butylsulfamoyl)biphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

Database identifiers

PubChem CID
10100136

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
116 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
42

Related reactions

2 records
New reaction record

Compound notes

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