ethyl (2R)-2-benzoyloxymethyl-8-[N-(2-chloro-4-fluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate

HCID 67190332
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Basic information

Standard SMILES
CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)cc1Cl)OC[C@H](COC(=O)c1ccccc1)O2
InChIKey
UDUQQIUBMZRVBA-SIPIWMQHSA-N
Molecular formula
C25H25ClFNO8S
Average molar mass
554 g/mol
Monoisotopic mass
553.0973438

Names & identifiers

Preferred name
ethyl (2R)-2-benzoyloxymethyl-8-[N-(2-chloro-4-fluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
IUPAC
ethyl (3R)-3-(benzoyloxymethyl)-8-[(2-chloro-4-fluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate

Names & synonyms

SCHEMBL1862038UDUQQIUBMZRVBA-SIPIWMQHSA-Nethyl (2R)-2-benzoyloxymethyl-8-[N-(2-chloro-4-fluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate

Database identifiers

PubChem CID
67190332

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
126 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
10
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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