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82559-05-5 | Benzamide, N-[3-(1,1-dimethylethyl)-5-isoxazolyl]-2,4,6-trimethoxy-
CAS No: 82559-05-5 Catalog No: AG008ITZ MDL No:
Product Description
Catalog Number:
AG008ITZ
Chemical Name:
Benzamide, N-[3-(1,1-dimethylethyl)-5-isoxazolyl]-2,4,6-trimethoxy-
CAS Number:
82559-05-5
Molecular Formula:
C17H22N2O5
Molecular Weight:
334.3670
IUPAC Name:
N-(3-tert-butyl-1,2-oxazol-5-yl)-2,4,6-trimethoxybenzamide
InChI:
InChI=1S/C17H22N2O5/c1-17(2,3)13-9-14(24-19-13)18-16(20)15-11(22-5)7-10(21-4)8-12(15)23-6/h7-9H,1-6H3,(H,18,20)
InChI Key:
FLUAFSWJRDDLJU-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1)OC)C(=O)Nc1onc(c1)C(C)(C)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.153g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.372g/mol
Monoisotopic Mass:
334.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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