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3-(6-(2-((2,6-dichlorobenzyl)oxy)ethoxy)hexyl)-5-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)oxazolidin-2-one

HCID 66846017
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(C)OCc2cc(C3CN(CCCCCCOCCOCc4c(Cl)cccc4Cl)C(=O)O3)ccc2O1
InChIKey
XQWNKZGGCAFXHI-UHFFFAOYSA-N
Molecular formula
C28H35Cl2NO6
Average molar mass
552.5 g/mol

Names & identifiers

Preferred name
3-(6-(2-((2,6-dichlorobenzyl)oxy)ethoxy)hexyl)-5-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)oxazolidin-2-one
IUPAC
3-[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexyl]-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one

Names & synonyms

3-(6-(2-((2,6-dichlorobenzyl)oxy)ethoxy)hexyl)-5-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)oxazolidin-2-oneC28H35Cl2NO6SCHEMBL927207CS-M2592MFCD28347559AKOS037651645CS-171673-[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexyl]-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)oxazolidin-2-one

Database identifiers

PubChem CID
66846017

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
66.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
13
Heavy atoms
37
Formal charge
0
Complexity
702

Related reactions

3 records
New reaction record
HRID 692156 reaction equation
HRID 692156As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 808474 reaction equation
HRID 808474As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 2155382 reaction equation
HRID 2155382As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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