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82558-58-5 | Benzamide, N-[3-(1,1-dimethylpropyl)-5-isoxazolyl]-2,6-dimethoxy-
CAS No: 82558-58-5 Catalog No: AG004U7E MDL No:
Product Description
Catalog Number:
AG004U7E
Chemical Name:
Benzamide, N-[3-(1,1-dimethylpropyl)-5-isoxazolyl]-2,6-dimethoxy-
CAS Number:
82558-58-5
Molecular Formula:
C17H22N2O4
Molecular Weight:
318.3676
IUPAC Name:
2,6-dimethoxy-N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]benzamide
InChI:
InChI=1S/C17H22N2O4/c1-6-17(2,3)13-10-14(23-19-13)18-16(20)15-11(21-4)8-7-9-12(15)22-5/h7-10H,6H2,1-5H3,(H,18,20)
InChI Key:
BKMCGVBLUIYGED-UHFFFAOYSA-N
SMILES:
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(C)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.373g/mol
Monoisotopic Mass:
318.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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