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168127-33-1 | Acetic acid, 2-[4-[2-[(4-chlorophenyl)amino]-4-thiazolyl]phenoxy]-, ethyl ester
CAS No: 168127-33-1 Catalog No: AG001XTQ MDL No:
Product Description
Catalog Number:
AG001XTQ
Chemical Name:
Acetic acid, 2-[4-[2-[(4-chlorophenyl)amino]-4-thiazolyl]phenoxy]-, ethyl ester
CAS Number:
168127-33-1
Molecular Formula:
C19H17ClN2O3S
Molecular Weight:
388.8679
IUPAC Name:
ethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate
InChI:
InChI=1S/C19H17ClN2O3S/c1-2-24-18(23)11-25-16-9-3-13(4-10-16)17-12-26-19(22-17)21-15-7-5-14(20)6-8-15/h3-10,12H,2,11H2,1H3,(H,21,22)
InChI Key:
STENHTAPAWYURW-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1ccc(cc1)c1csc(n1)Nc1ccc(cc1)Cl
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.065g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.866g/mol
Monoisotopic Mass:
388.065g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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