5-(3'-Methylaminomethylbiphenyl-4-ylmethyl)thiazolidine-2,4-dione

HCID 12085486

Notes Reactions

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Basic information

Standard SMILES: CNCc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1
InChIKey: LFHICSPZNBDEQT-UHFFFAOYSA-N
Molecular formula: C18H18N2O2S
Average molar mass: 326.4 g/mol

Names & identifiers

Preferred name: 5-(3'-Methylaminomethylbiphenyl-4-ylmethyl)thiazolidine-2,4-dione
IUPAC: 5-[[4-[3-(methylaminomethyl)phenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Names & synonyms

SCHEMBL4321481LFHICSPZNBDEQT-UHFFFAOYSA-N5-(3 '-methylaminomethylbiphenyl-4-ylmethyl)thiazolidine-2,4-dione5-(3'-methylaminomethylbiphenyl-4-ylmethyl)thiazolidine-2,4-dione

Database identifiers

PubChem CID: 12085486

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 83.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 435

Related reactions

24 records

New reaction record

HRID 135785As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 160342As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 211540As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 287287As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 303557As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 310744As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 584971As reactantuspto-grants-2005_08

HRID 584972As reactantuspto-grants-2005_08

Compound notes

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