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1000575-49-4 | Ethyl 2-{4-[4-bromo-5-(dimethylcarbamoyl)thiazol-2-yloxy]phenoxy}propanoate
CAS No: 1000575-49-4 Catalog No: AG01F2A2 MDL No:
Product Description
Catalog Number:
AG01F2A2
Chemical Name:
Ethyl 2-{4-[4-bromo-5-(dimethylcarbamoyl)thiazol-2-yloxy]phenoxy}propanoate
CAS Number:
1000575-49-4
Molecular Formula:
C17H19BrN2O5S
Molecular Weight:
443.3122
IUPAC Name:
ethyl 2-[4-[[4-bromo-5-(dimethylcarbamoyl)-1,3-thiazol-2-yl]oxy]phenoxy]propanoate
InChI:
InChI=1S/C17H19BrN2O5S/c1-5-23-16(22)10(2)24-11-6-8-12(9-7-11)25-17-19-14(18)13(26-17)15(21)20(3)4/h6-10H,5H2,1-4H3
InChI Key:
WHZBIGJXUXCJOB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1ccc(cc1)Oc1nc(c(s1)C(=O)N(C)C)Br)C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.02g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.312g/mol
Monoisotopic Mass:
442.02g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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