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144175-37-1 | 5-Isoxazoleacetamide, N-hexyl-3,4-bis(4-methoxyphenyl)-
CAS No: 144175-37-1 Catalog No: AG001J1P MDL No:
Product Description
Catalog Number:
AG001J1P
Chemical Name:
5-Isoxazoleacetamide, N-hexyl-3,4-bis(4-methoxyphenyl)-
CAS Number:
144175-37-1
Molecular Formula:
C25H30N2O4
Molecular Weight:
422.5167
IUPAC Name:
2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-hexylacetamide
InChI:
InChI=1S/C25H30N2O4/c1-4-5-6-7-16-26-23(28)17-22-24(18-8-12-20(29-2)13-9-18)25(27-31-22)19-10-14-21(30-3)15-11-19/h8-15H,4-7,16-17H2,1-3H3,(H,26,28)
InChI Key:
URGVSHVGXWQUPO-UHFFFAOYSA-N
SMILES:
CCCCCCNC(=O)Cc1onc(c1c1ccc(cc1)OC)c1ccc(cc1)OC
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.221g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.525g/mol
Monoisotopic Mass:
422.221g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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