4-[[2'-[N-(n-Butoxycarbonyl)sulfamoyl]-3-fluorobiphenyl-4-yl]methyl]-3-n-butyl-1-[2-chloro-5-(propionylamino)phenyl]-1H-pyrazole-5-carbonitrile

HCID 19783176
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Basic information

Standard SMILES
CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cc2c(CCCC)nn(-c3cc(NC(=O)CC)ccc3Cl)c2C#N)c(F)c1
InChIKey
RACQDFFWLLKASL-UHFFFAOYSA-N
Molecular formula
C35H37ClFN5O5S
Average molar mass
694.2 g/mol

Names & identifiers

Preferred name
4-[[2'-[N-(n-Butoxycarbonyl)sulfamoyl]-3-fluorobiphenyl-4-yl]methyl]-3-n-butyl-1-[2-chloro-5-(propionylamino)phenyl]-1H-pyrazole-5-carbonitrile
IUPAC
butyl N-[2-[4-[[3-butyl-1-[2-chloro-5-(propanoylamino)phenyl]-5-cyanopyrazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate

Names & synonyms

SCHEMBL9595173RACQDFFWLLKASL-UHFFFAOYSA-N4-[[2'-[N-(n-Butoxycarbonyl)sulfamoyl]-3-fluorobiphenyl-4-yl]methyl]-3-n-butyl-1-[2-chloro-5-(propionylamino)phenyl]-1H-pyrazole-5-carbonitrile

Database identifiers

PubChem CID
19783176

Properties

Computed structural properties

XLogP
8
Topological polar surface area
152 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
15
Heavy atoms
48

Related reactions

2 records
New reaction record

Compound notes

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