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82558-54-1 | Benzamide, N-[3-(2,2-dimethylpropyl)-5-isoxazolyl]-2,6-dimethoxy-
CAS No: 82558-54-1 Catalog No: AG004Z5W MDL No:
Product Description
Catalog Number:
AG004Z5W
Chemical Name:
Benzamide, N-[3-(2,2-dimethylpropyl)-5-isoxazolyl]-2,6-dimethoxy-
CAS Number:
82558-54-1
Molecular Formula:
C17H22N2O4
Molecular Weight:
318.3676
IUPAC Name:
N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
InChI:
InChI=1S/C17H22N2O4/c1-17(2,3)10-11-9-14(23-19-11)18-16(20)15-12(21-4)7-6-8-13(15)22-5/h6-9H,10H2,1-5H3,(H,18,20)
InChI Key:
RQWCTLJNCDVCBN-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=O)Nc1onc(c1)CC(C)(C)C)OC
Properties
Complexity:
385
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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