Ethyl 2-{[(2R)-2-[(tert-butylsulfinyl)amino]-2-(3,5-difluorophenyl)ethyl]thio}-2-methylpropanoate

HCID 66973449
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Basic information

Standard SMILES
CCOC(=O)C(C)(C)SC[C@H](NS(=O)C(C)(C)C)c1cc(F)cc(F)c1
InChIKey
SCPJDYRHCHHKHK-DKJAIQOISA-N
Molecular formula
C18H27F2NO3S2
Average molar mass
407.5 g/mol

Names & identifiers

Preferred name
Ethyl 2-{[(2R)-2-[(tert-butylsulfinyl)amino]-2-(3,5-difluorophenyl)ethyl]thio}-2-methylpropanoate
IUPAC
ethyl 2-[(2R)-2-(tert-butylsulfinylamino)-2-(3,5-difluorophenyl)ethyl]sulfanyl-2-methylpropanoate

Names & synonyms

SCHEMBL1274194SCPJDYRHCHHKHK-DKJAIQOISA-NEthyl 2-{[(2R)-2-[(tert-butylsulfinyl)amino]-2-(3,5-difluorophenyl)ethyl]thio}-2-methylpropanoate

Database identifiers

PubChem CID
66973449

Properties

Computed structural properties

XLogP
4
Topological polar surface area
99.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
26

Related reactions

4 records
New reaction record

Compound notes

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