2-(3,5-Dichloropyridin-4-yl)-1-{9-methoxy-spiro[2H-1,5-benzodioxepin-3(4H),3'-oxetane]-6-yl}ethanone

HCID 25005168
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Basic information

Standard SMILES
COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2c1OCC1(COC1)CO2
InChIKey
KDUSTEWMGLOQPO-UHFFFAOYSA-N
Molecular formula
C19H17Cl2NO5
Average molar mass
410.2 g/mol

Names & identifiers

Preferred name
2-(3,5-Dichloropyridin-4-yl)-1-{9-methoxy-spiro[2H-1,5-benzodioxepin-3(4H),3'-oxetane]-6-yl}ethanone
IUPAC
2-(3,5-dichloro-4-pyridinyl)-1-(6-methoxyspiro[2,4-dihydro-1,5-benzodioxepine-3,3'-oxetane]-9-yl)ethanone

Names & synonyms

SCHEMBL1697734KDUSTEWMGLOQPO-UHFFFAOYSA-N2-(3,5-Dichloropyridin-4-yl)-1-{9-methoxy-spiro[2H-1,5-benzodioxepin-3(4H),3'-oxetane]-6-yl}ethanone

Database identifiers

PubChem CID
25005168

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
66.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
27

Related reactions

4 records
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Compound notes

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