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82559-62-4 | Benzamide, N-[3-(1,1-dimethylethyl)-5-isothiazolyl]-2,6-dimethoxy-
CAS No: 82559-62-4 Catalog No: AG004YQO MDL No:
Product Description
Catalog Number:
AG004YQO
Chemical Name:
Benzamide, N-[3-(1,1-dimethylethyl)-5-isothiazolyl]-2,6-dimethoxy-
CAS Number:
82559-62-4
Molecular Formula:
C16H20N2O3S
Molecular Weight:
320.4066
IUPAC Name:
N-(3-tert-butyl-1,2-thiazol-5-yl)-2,6-dimethoxybenzamide
InChI:
InChI=1S/C16H20N2O3S/c1-16(2,3)12-9-13(22-18-12)17-15(19)14-10(20-4)7-6-8-11(14)21-5/h6-9H,1-5H3,(H,17,19)
InChI Key:
CRWNNQLMVILNGH-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=O)Nc1snc(c1)C(C)(C)C)OC
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.119g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.407g/mol
Monoisotopic Mass:
320.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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