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885278-60-4 molecular structure
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ethyl 2-[3-(benzyloxy)phenyl]-1,3-thiazole-4-carboxylate

ChemBase ID: 810799
Molecular Formular: C19H17NO3S
Molecular Mass: 339.40818
Monoisotopic Mass: 339.09291441
SMILES and InChIs

SMILES:
s1c(nc(c1)C(=O)OCC)c1cc(ccc1)OCc1ccccc1
Canonical SMILES:
CCOC(=O)c1csc(n1)c1cccc(c1)OCc1ccccc1
InChI:
InChI=1S/C19H17NO3S/c1-2-22-19(21)17-13-24-18(20-17)15-9-6-10-16(11-15)23-12-14-7-4-3-5-8-14/h3-11,13H,2,12H2,1H3
InChIKey:
SSXQYAVTKXTMJY-UHFFFAOYSA-N

Cite this record

CBID:810799 http://www.chembase.cn/molecule-810799.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-[3-(benzyloxy)phenyl]-1,3-thiazole-4-carboxylate
IUPAC Traditional name
ethyl 2-[3-(benzyloxy)phenyl]-1,3-thiazole-4-carboxylate
Synonyms
2-(3-BENZYLOXY-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
CAS Number
885278-60-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29760 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29760 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.7697453  LogD (pH = 7.4) 4.769746 
Log P 4.769746  Molar Refractivity 103.8457 cm3
Polarizability 36.76853 Å3 Polar Surface Area 48.42 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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