6-(2-(5-(3-Chlorophenyl)-2-oxo-3-oxazolidinyl)propyl)-1,4-benzodioxan-2-yl-thiomethanol

HCID 18996366
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Basic information

Standard SMILES
CC(Cc1ccc2c(c1)OCC(SCO)O2)N1CC(c2cccc(Cl)c2)OC1=O
InChIKey
YJUHAJJUDWYFKN-UHFFFAOYSA-N
Molecular formula
C21H22ClNO5S
Average molar mass
435.9 g/mol
Monoisotopic mass
435.0907217

Names & identifiers

Preferred name
6-(2-(5-(3-Chlorophenyl)-2-oxo-3-oxazolidinyl)propyl)-1,4-benzodioxan-2-yl-thiomethanol
IUPAC
5-(3-chlorophenyl)-3-[1-[2-(hydroxymethylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]-1,3-oxazolidin-2-one

Names & synonyms

SCHEMBL8975077YJUHAJJUDWYFKN-UHFFFAOYSA-N6-(2-(5-(3-chlorophenyl)-2-oxo-3-oxazolidinyl)propyl)-1,4-benzodioxan-2-yl-thiomethanol

Database identifiers

PubChem CID
18996366

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
93.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
29

Related reactions

1 records
New reaction record

Compound notes

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