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1619266-54-4 | 4-Thiazoleacetic acid, 2-amino-α-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-, 2-mercaptophenyl ester
CAS No: 1619266-54-4 Catalog No: AG001SIC MDL No:
Product Description
Catalog Number:
AG001SIC
Chemical Name:
4-Thiazoleacetic acid, 2-amino-α-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-, 2-mercaptophenyl ester
CAS Number:
1619266-54-4
Molecular Formula:
C19H23N3O5S2
Molecular Weight:
437.5330
IUPAC Name:
tert-butyl 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-(2-sulfanylphenoxy)ethylidene]amino]oxy-2-methylpropanoate
InChI:
InChI=1S/C19H23N3O5S2/c1-18(2,3)26-16(24)19(4,5)27-22-14(11-10-29-17(20)21-11)15(23)25-12-8-6-7-9-13(12)28/h6-10,28H,1-5H3,(H2,20,21)/b22-14+
InChI Key:
SUVNXTGKXAXSIV-HYARGMPZSA-N
SMILES:
Nc1scc(n1)C(=NOC(C(=O)OC(C)(C)C)(C)C)C(=O)Oc1ccccc1S
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
437.108g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
437.529g/mol
Monoisotopic Mass:
437.108g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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