5-{4-[3-(3,4-Dimethoxyphenyl)-propyl]-2-hydroxyphenyl}-1,1-dioxo-1,2,5-thiadiazolidin-3-one

HCID 57777436
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Basic information

Standard SMILES
COc1ccc(CCCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)cc1OC
InChIKey
YDCKWZFUSKXDTP-UHFFFAOYSA-N
Molecular formula
C19H22N2O6S
Average molar mass
406.5 g/mol

Names & identifiers

Preferred name
5-{4-[3-(3,4-Dimethoxyphenyl)-propyl]-2-hydroxyphenyl}-1,1-dioxo-1,2,5-thiadiazolidin-3-one
IUPAC
5-[4-[3-(3,4-dimethoxyphenyl)propyl]-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

Names & synonyms

SCHEMBL3216004YDCKWZFUSKXDTP-UHFFFAOYSA-N5-{4-[3-(3,4-Dimethoxyphenyl)-propyl]-2-hydroxyphenyl}-1,1-dioxo-1,2,5-thiadiazolidin-3-one

Database identifiers

PubChem CID
57777436

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
114 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
28

Related reactions

1 records
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Compound notes

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