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168127-31-9 | Acetic acid, 2-[4-[2-[(4-methoxyphenyl)amino]-4-thiazolyl]phenoxy]-, ethyl ester
CAS No: 168127-31-9 Catalog No: AG001XTS MDL No:
Product Description
Catalog Number:
AG001XTS
Chemical Name:
Acetic acid, 2-[4-[2-[(4-methoxyphenyl)amino]-4-thiazolyl]phenoxy]-, ethyl ester
CAS Number:
168127-31-9
Molecular Formula:
C20H20N2O4S
Molecular Weight:
384.4488
IUPAC Name:
ethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate
InChI:
InChI=1S/C20H20N2O4S/c1-3-25-19(23)12-26-17-8-4-14(5-9-17)18-13-27-20(22-18)21-15-6-10-16(24-2)11-7-15/h4-11,13H,3,12H2,1-2H3,(H,21,22)
InChI Key:
SCEOOUHAQONRFU-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1ccc(cc1)c1csc(n1)Nc1ccc(cc1)OC
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.114g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.45g/mol
Monoisotopic Mass:
384.114g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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