4-benzyl-3-[2-(3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-ylsulfonylmethyl)-3-methylbutanoyl]-1,3-oxazolidin-2-one

HCID 22719780
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Basic information

Standard SMILES
CC(C)C(CS(=O)(=O)N1CCc2c(sc3ccccc23)C1)C(=O)N1C(=O)OCC1Cc1ccccc1
InChIKey
WFHJOPAXAPSXNW-UHFFFAOYSA-N
Molecular formula
C27H30N2O5S2
Average molar mass
526.7 g/mol
Monoisotopic mass
526.15961441

Names & identifiers

Preferred name
4-benzyl-3-[2-(3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-ylsulfonylmethyl)-3-methylbutanoyl]-1,3-oxazolidin-2-one
IUPAC
4-benzyl-3-[2-(3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-ylsulfonylmethyl)-3-methylbutanoyl]-1,3-oxazolidin-2-one

Names & synonyms

SCHEMBL6791386

Database identifiers

PubChem CID
22719780

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
121 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
36

Related reactions

2 records
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Compound notes

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