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82558-70-1 | Benzamide, N-[5-(1,1-dimethylbutyl)-3-isoxazolyl]-2,6-dimethoxy-
CAS No: 82558-70-1 Catalog No: AG004Z5R MDL No:
Product Description
Catalog Number:
AG004Z5R
Chemical Name:
Benzamide, N-[5-(1,1-dimethylbutyl)-3-isoxazolyl]-2,6-dimethoxy-
CAS Number:
82558-70-1
Molecular Formula:
C18H24N2O4
Molecular Weight:
332.3942
IUPAC Name:
2,6-dimethoxy-N-[5-(2-methylpentan-2-yl)-1,2-oxazol-3-yl]benzamide
InChI:
InChI=1S/C18H24N2O4/c1-6-10-18(2,3)14-11-15(20-24-14)19-17(21)16-12(22-4)8-7-9-13(16)23-5/h7-9,11H,6,10H2,1-5H3,(H,19,20,21)
InChI Key:
DKGDRCAPICBTRX-UHFFFAOYSA-N
SMILES:
CCCC(c1onc(c1)NC(=O)c1c(OC)cccc1OC)(C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.174g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.4g/mol
Monoisotopic Mass:
332.174g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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