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82559-63-5 | Benzamide, N-[3-(1-ethyl-1-methylpropyl)-5-isothiazolyl]-2,6-dimethoxy-
CAS No: 82559-63-5 Catalog No: AG008ITU MDL No:
Product Description
Catalog Number:
AG008ITU
Chemical Name:
Benzamide, N-[3-(1-ethyl-1-methylpropyl)-5-isothiazolyl]-2,6-dimethoxy-
CAS Number:
82559-63-5
Molecular Formula:
C18H24N2O3S
Molecular Weight:
348.4598
IUPAC Name:
2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-thiazol-5-yl]benzamide
InChI:
InChI=1S/C18H24N2O3S/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)
InChI Key:
WEEBHJDXIUATFZ-UHFFFAOYSA-N
SMILES:
CCC(c1nsc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.151g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.461g/mol
Monoisotopic Mass:
348.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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