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144232-60-0 | Benzoxazole, 2,2'-(2,5-thiophenediyl)bis[5,6-diethoxy- (9CI)
CAS No: 144232-60-0 Catalog No: AG001J5E MDL No:
Product Description
Catalog Number:
AG001J5E
Chemical Name:
Benzoxazole, 2,2'-(2,5-thiophenediyl)bis[5,6-diethoxy- (9CI)
CAS Number:
144232-60-0
Molecular Formula:
C26H26N2O6S
Molecular Weight:
494.5594
IUPAC Name:
2-[5-(5,6-diethoxy-1,3-benzoxazol-2-yl)thiophen-2-yl]-5,6-diethoxy-1,3-benzoxazole
InChI:
InChI=1S/C26H26N2O6S/c1-5-29-19-11-15-17(13-21(19)31-7-3)33-25(27-15)23-9-10-24(35-23)26-28-16-12-20(30-6-2)22(32-8-4)14-18(16)34-26/h9-14H,5-8H2,1-4H3
InChI Key:
AZTLNJZCSIZLJU-UHFFFAOYSA-N
SMILES:
CCOc1cc2oc(nc2cc1OCC)c1ccc(s1)c1oc2c(n1)cc(c(c2)OCC)OCC
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.151g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
494.562g/mol
Monoisotopic Mass:
494.151g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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