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5669-53-4 | 3-Methyl-4-[2-(2,4-dimethylphenyl)hydrazono]isoxazole-5(4H)-one
CAS No: 5669-53-4 Catalog No: AG00EZO1 MDL No:
Product Description
Catalog Number:
AG00EZO1
Chemical Name:
3-Methyl-4-[2-(2,4-dimethylphenyl)hydrazono]isoxazole-5(4H)-one
CAS Number:
5669-53-4
IUPAC Name:
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
InChI:
InChI=1S/C21H26N2O5S/c1-16-5-11-20(12-6-16)29(25,26)23(17-7-9-18(27-2)10-8-17)15-21(24)22-14-19-4-3-13-28-19/h5-12,19H,3-4,13-15H2,1-2H3,(H,22,24)
InChI Key:
APTIVMLNCQRWRQ-UHFFFAOYSA-N
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.156g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.508g/mol
Monoisotopic Mass:
418.156g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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