Home > Compound List > Compound details
161600-01-7 molecular structure
click picture or here to close

5-({6-[(2-fluorophenyl)methoxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione

ChemBase ID: 128580
Molecular Formular: C21H16FNO3S
Molecular Mass: 381.4200432
Monoisotopic Mass: 381.0834926
SMILES and InChIs

SMILES:
c1ccc(c(c1)COc1cc2c(cc1)cc(cc2)CC1C(=O)NC(=O)S1)F
Canonical SMILES:
O=C1NC(=O)C(S1)Cc1ccc2c(c1)ccc(c2)OCc1ccccc1F
InChI:
InChI=1S/C21H16FNO3S/c22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19/h1-9,11,19H,10,12H2,(H,23,24,25)
InChIKey:
PKWDZWYVIHVNKS-UHFFFAOYSA-N

Cite this record

CBID:128580 http://www.chembase.cn/molecule-128580.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-({6-[(2-fluorophenyl)methoxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione
IUPAC Traditional name
netoglitazone
Synonyms
Netoglitazone
CAS Number
161600-01-7
PubChem SID
162222887
PubChem CID
204109
KEGG ID
D05150
Unique Ingredient Identifier
QOV2JZ647A
Wikipedia Title
Netoglitazone

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.6135864  H Acceptors
H Donor LogD (pH = 5.5) 4.6430144 
LogD (pH = 7.4) 4.442088  Log P 4.646307 
Molar Refractivity 102.3949 cm3 Polarizability 40.60792 Å3
Polar Surface Area 55.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Bioassay(PubChem)
Legal Status
Uncontrolled expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle