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5669-79-4 | 4-[2-(2-Ethoxyphenyl)hydrazono]-3-methylisoxazole-5(4H)-one
CAS No: 5669-79-4 Catalog No: AG00ETCY MDL No:
Product Description
Catalog Number:
AG00ETCY
Chemical Name:
4-[2-(2-Ethoxyphenyl)hydrazono]-3-methylisoxazole-5(4H)-one
CAS Number:
5669-79-4
IUPAC Name:
N,N-diethyl-4-[3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]benzenesulfonamide
InChI:
InChI=1S/C26H25N3O3S2/c1-3-28(4-2)34(31,32)23-15-12-20(13-16-23)24(30)17-14-21-19-29(22-9-6-5-7-10-22)27-26(21)25-11-8-18-33-25/h5-19H,3-4H2,1-2H3
InChI Key:
NDXBRMGCKICRAG-UHFFFAOYSA-N
Properties
Complexity:
795
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.134g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
491.624g/mol
Monoisotopic Mass:
491.134g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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