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168127-30-8 | Acetic acid, 2-[4-[2-(phenylamino)-4-thiazolyl]phenoxy]-, ethyl ester
CAS No: 168127-30-8 Catalog No: AG001XTT MDL No:
Product Description
Catalog Number:
AG001XTT
Chemical Name:
Acetic acid, 2-[4-[2-(phenylamino)-4-thiazolyl]phenoxy]-, ethyl ester
CAS Number:
168127-30-8
Molecular Formula:
C19H18N2O3S
Molecular Weight:
354.4228
IUPAC Name:
ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate
InChI:
InChI=1S/C19H18N2O3S/c1-2-23-18(22)12-24-16-10-8-14(9-11-16)17-13-25-19(21-17)20-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H,20,21)
InChI Key:
JTBAUYBFAAUYBB-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1ccc(cc1)c1csc(n1)Nc1ccccc1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.104g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.424g/mol
Monoisotopic Mass:
354.104g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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