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188945-14-4 | Pyridine, 3-(3-methyl-5-isoxazolyl)-2-(4-methylphenyl)-4,6-diphenyl-
CAS No: 188945-14-4 Catalog No: AG002HK6 MDL No:
Product Description
Catalog Number:
AG002HK6
Chemical Name:
Pyridine, 3-(3-methyl-5-isoxazolyl)-2-(4-methylphenyl)-4,6-diphenyl-
CAS Number:
188945-14-4
Molecular Formula:
C28H22N2O
Molecular Weight:
402.4871
IUPAC Name:
3-methyl-5-[2-(4-methylphenyl)-4,6-diphenylpyridin-3-yl]-1,2-oxazole
InChI:
InChI=1S/C28H22N2O/c1-19-13-15-23(16-14-19)28-27(26-17-20(2)30-31-26)24(21-9-5-3-6-10-21)18-25(29-28)22-11-7-4-8-12-22/h3-18H,1-2H3
InChI Key:
TVFFKUGZILXXJA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc(cc(c1c1onc(c1)C)c1ccccc1)c1ccccc1
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.173g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.497g/mol
Monoisotopic Mass:
402.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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