3-[3-[N-(4-Fluoro-2-trifluoromethylphenyl)sulfamoyl]propionylamino]-3-methoxycarbonylpropionic Acid Methyl Ester

HCID 54559852
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Basic information

Standard SMILES
COC(=O)CC(NC(=O)CCS(=O)(=O)Nc1ccc(F)cc1C(F)(F)F)C(=O)OC
InChIKey
ZPTPOUBWSWEUFS-UHFFFAOYSA-N
Molecular formula
C16H18F4N2O7S
Average molar mass
458.4 g/mol

Names & identifiers

Preferred name
3-[3-[N-(4-Fluoro-2-trifluoromethylphenyl)sulfamoyl]propionylamino]-3-methoxycarbonylpropionic Acid Methyl Ester
IUPAC
dimethyl 2-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]sulfamoyl]propanoylamino]butanedioate

Names & synonyms

3-[3-[N-(4-Fluoro-2-trifluoromethylphenyl)sulfamoyl]propionylamino]-3-methoxycarbonylpropionic Acid Methyl EsterSCHEMBL9364420

Database identifiers

PubChem CID
54559852

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
136 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
12
Rotatable bonds
11
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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