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143874-03-7 | Benzoxazole, 2,2'-(2,5-thiophenediyl)bis[5-methoxy-
CAS No: 143874-03-7 Catalog No: AG001IIT MDL No:
Product Description
Catalog Number:
AG001IIT
Chemical Name:
Benzoxazole, 2,2'-(2,5-thiophenediyl)bis[5-methoxy-
CAS Number:
143874-03-7
Molecular Formula:
C20H14N2O4S
Molecular Weight:
378.4012
IUPAC Name:
5-methoxy-2-[5-(5-methoxy-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
InChI:
InChI=1S/C20H14N2O4S/c1-23-11-3-5-15-13(9-11)21-19(25-15)17-7-8-18(27-17)20-22-14-10-12(24-2)4-6-16(14)26-20/h3-10H,1-2H3
InChI Key:
VUHVQLQQACAGFQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(o2)c1ccc(s1)c1nc2c(o1)ccc(c2)OC
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.067g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.402g/mol
Monoisotopic Mass:
378.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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