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88264-25-9 | Oxazole, 4,5-bis(4-methoxyphenyl)-2-(2-thienylsulfonyl)-
CAS No: 88264-25-9 Catalog No: AG004AAO MDL No:
Product Description
Catalog Number:
AG004AAO
Chemical Name:
Oxazole, 4,5-bis(4-methoxyphenyl)-2-(2-thienylsulfonyl)-
CAS Number:
88264-25-9
Molecular Formula:
C21H17NO5S2
Molecular Weight:
427.4934
IUPAC Name:
4,5-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfonyl-1,3-oxazole
InChI:
InChI=1S/C21H17NO5S2/c1-25-16-9-5-14(6-10-16)19-20(15-7-11-17(26-2)12-8-15)27-21(22-19)29(23,24)18-4-3-13-28-18/h3-13H,1-2H3
InChI Key:
DHVCZOINNMQMMO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1oc(nc1c1ccc(cc1)OC)S(=O)(=O)c1cccs1
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.055g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.489g/mol
Monoisotopic Mass:
427.055g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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