7-((R)-5-hydroxymethyl-2-oxooxazolidin-3-yl)-3-(2-methanesulfonylphenyl)-2H-isoquinolin-1-one

HCID 11857095
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Basic information

Standard SMILES
CS(=O)(=O)c1ccccc1-c1cc2ccc(N3C[C@H](CO)OC3=O)cc2c(=O)[nH]1
InChIKey
WPFRRBMFWJXPOB-CQSZACIVSA-N
Molecular formula
C20H18N2O6S
Average molar mass
414.4 g/mol
Monoisotopic mass
414.08855747

Names & identifiers

Preferred name
7-((R)-5-hydroxymethyl-2-oxooxazolidin-3-yl)-3-(2-methanesulfonylphenyl)-2H-isoquinolin-1-one
IUPAC
(5R)-5-(hydroxymethyl)-3-[3-(2-methylsulfonylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one

Names & synonyms

SCHEMBL3549441WPFRRBMFWJXPOB-CQSZACIVSA-N7-((R)-5-hydroxymethyl-2-oxooxazolidin-3-yl)-3-(2-methanesulfonylphenyl)-2H-isoquinolin-1-one

Database identifiers

PubChem CID
11857095

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
121 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
29

Related reactions

1 records
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Compound notes

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