5-{2-Hydroxy-4-[1-(2,4,6-trimethylphenyl)-ethyl]-phenyl}-1,1-dioxo-1,2,5-thiadiazolidin-3-one

HCID 57777364
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Basic information

Standard SMILES
Cc1cc(C)c(C(C)c2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)c(C)c1
InChIKey
XEUJIWNEERILOH-UHFFFAOYSA-N
Molecular formula
C19H22N2O4S
Average molar mass
374.5 g/mol
Monoisotopic mass
374.13002836

Names & identifiers

Preferred name
5-{2-Hydroxy-4-[1-(2,4,6-trimethylphenyl)-ethyl]-phenyl}-1,1-dioxo-1,2,5-thiadiazolidin-3-one
IUPAC
5-[2-hydroxy-4-[1-(2,4,6-trimethylphenyl)ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

Names & synonyms

SCHEMBL3220266XEUJIWNEERILOH-UHFFFAOYSA-N5-{2-Hydroxy-4-[1-(2,4,6-trimethylphenyl)-ethyl]-phenyl}-1,1-dioxo-1,2,5-thiadiazolidin-3-one

Database identifiers

PubChem CID
57777364

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
95.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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5-{2-Hydroxy-4-[1-(2,4,6-trimethylphenyl)-ethyl]-phenyl}-1,1-dioxo-1,2,5-thiadiazolidin-3-one (HCID 57777364)｜Huagongshe