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865854-05-3 molecular structure
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4-benzyl-2-(naphthalen-1-yl)-1,2,4-thiadiazolidine-3,5-dione

ChemBase ID: 312772
Molecular Formular: C19H14N2O2S
Molecular Mass: 334.39166
Monoisotopic Mass: 334.0775987
SMILES and InChIs

SMILES:
s1n(c(=O)n(c1=O)Cc1ccccc1)c1cccc2ccccc12
Canonical SMILES:
O=c1sn(c(=O)n1Cc1ccccc1)c1cccc2c1cccc2
InChI:
InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
InChIKey:
PMJIHLSCWIDGMD-UHFFFAOYSA-N

Cite this record

CBID:312772 http://www.chembase.cn/molecule-312772.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-benzyl-2-(naphthalen-1-yl)-1,2,4-thiadiazolidine-3,5-dione
IUPAC Traditional name
4-benzyl-2-(naphthalen-1-yl)-1,2,4-thiadiazolidine-3,5-dione
Synonyms
Tideglusib
CAS Number
865854-05-3

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Selleck Chemicals S2823 external link Add to cart
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.7237844  LogD (pH = 7.4) 4.7237844 
Log P 4.7237844  Molar Refractivity 94.9125 cm3
Polarizability 37.75876 Å3 Polar Surface Area 40.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
GSK-3 expand Show data source
Salt Data
Free Base expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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