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89572-59-8 | Isoxazolo[5,4-b]pyridine, 6-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-
CAS No: 89572-59-8 Catalog No: AG0086L0 MDL No:
Product Description
Catalog Number:
AG0086L0
Chemical Name:
Isoxazolo[5,4-b]pyridine, 6-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-
CAS Number:
89572-59-8
Molecular Formula:
C22H20N2O
Molecular Weight:
328.4070
IUPAC Name:
6-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-[1,2]oxazolo[5,4-b]pyridine
InChI:
InChI=1S/C22H20N2O/c1-4-19-21-18(16-8-6-5-7-9-16)13-20(23-22(21)25-24-19)17-11-10-14(2)15(3)12-17/h5-13H,4H2,1-3H3
InChI Key:
NPAHOMCCNWKKHQ-UHFFFAOYSA-N
SMILES:
CCc1noc2c1c(cc(n2)c1ccc(c(c1)C)C)c1ccccc1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.415g/mol
Monoisotopic Mass:
328.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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