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189038-97-9 | Benzamide, N-[3-(1-ethyl-1-methylpropyl)-5-isoxazolyl]-2,4-dimethoxy-
CAS No: 189038-97-9 Catalog No: AG002HR0 MDL No:
Product Description
Catalog Number:
AG002HR0
Chemical Name:
Benzamide, N-[3-(1-ethyl-1-methylpropyl)-5-isoxazolyl]-2,4-dimethoxy-
CAS Number:
189038-97-9
Molecular Formula:
C18H24N2O4
Molecular Weight:
332.3942
IUPAC Name:
2,4-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
InChI:
InChI=1S/C18H24N2O4/c1-6-18(3,7-2)15-11-16(24-20-15)19-17(21)13-9-8-12(22-4)10-14(13)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)
InChI Key:
SHJQSWDARIYOJV-UHFFFAOYSA-N
SMILES:
CCC(c1noc(c1)NC(=O)c1ccc(cc1OC)OC)(CC)C
Properties
Complexity:
414
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:
3.9
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