5-n-butyl-2,4-dihydro-4-[(3-fluoro-2'-sulfamoyl-biphenyl-4-yl)methyl]-2-[5-(propionylamino)-2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one

HCID 9986353
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Basic information

Standard SMILES
CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1F
InChIKey
BXDUTVOPGUXULN-UHFFFAOYSA-N
Molecular formula
C29H29F4N5O4S
Average molar mass
619.6 g/mol

Names & identifiers

Preferred name
5-n-butyl-2,4-dihydro-4-[(3-fluoro-2'-sulfamoyl-biphenyl-4-yl)methyl]-2-[5-(propionylamino)-2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one
IUPAC
N-[3-[3-butyl-4-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-(trifluoromethyl)phenyl]propanamide

Names & synonyms

5-n-butyl-2,4-dihydro-4-[(3-fluoro-2'-sulfamoyl-biphenyl-4-yl)methyl]-2-[5-(propionylamino)-2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-oneSCHEMBL9143242

Database identifiers

PubChem CID
9986353

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
134 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
10
Heavy atoms
43

Related reactions

2 records
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Compound notes

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