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143022-79-1 | Methanone, (thiodi-4,1-phenylene)bis[(4-methoxyphenyl)-
CAS No: 143022-79-1 Catalog No: AG007Z66 MDL No:
Product Description
Catalog Number:
AG007Z66
Chemical Name:
Methanone, (thiodi-4,1-phenylene)bis[(4-methoxyphenyl)-
CAS Number:
143022-79-1
Molecular Formula:
C28H22O4S
Molecular Weight:
454.5369
IUPAC Name:
[4-[4-(4-methoxybenzoyl)phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C28H22O4S/c1-31-23-11-3-19(4-12-23)27(29)21-7-15-25(16-8-21)33-26-17-9-22(10-18-26)28(30)20-5-13-24(32-2)14-6-20/h3-18H,1-2H3
InChI Key:
NQNDJXVWWKHBQU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1ccc(cc1)Sc1ccc(cc1)C(=O)c1ccc(cc1)OC
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.124g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.54g/mol
Monoisotopic Mass:
454.124g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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