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903886-81-7 | N-[1-METHYL-3-[2-(4-PHENOXYPHENOXY)-1,3-THIAZOL-5-YL]PROP-2-YNYL]ACETAMIDE
CAS No: 903886-81-7 Catalog No: AG006QT2 MDL No:
Product Description
Catalog Number:
AG006QT2
Chemical Name:
N-[1-METHYL-3-[2-(4-PHENOXYPHENOXY)-1,3-THIAZOL-5-YL]PROP-2-YNYL]ACETAMIDE
CAS Number:
903886-81-7
Molecular Formula:
C21H18N2O3S
Molecular Weight:
378.4442
IUPAC Name:
N-[4-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]but-3-yn-2-yl]acetamide
InChI:
InChI=1S/C21H18N2O3S/c1-15(23-16(2)24)8-13-20-14-22-21(27-20)26-19-11-9-18(10-12-19)25-17-6-4-3-5-7-17/h3-7,9-12,14-15H,1-2H3,(H,23,24)
InChI Key:
YXGGOPZGTQGTIL-UHFFFAOYSA-N
SMILES:
CC(=O)NC(C#Cc1cnc(s1)Oc1ccc(cc1)Oc1ccccc1)C
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.104g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.446g/mol
Monoisotopic Mass:
378.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships for a novel series of thiazolyl phenyl ether derivatives exhibiting potent and selective acetyl-CoA carboxylase 2 inhibitory activity. | Bioorganic & medicinal chemistry letters 20061201 |
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