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82558-72-3 | Benzamide, N-[3-(1-ethylpropyl)-5-isoxazolyl]-2,6-dimethoxy-
CAS No: 82558-72-3 Catalog No: AG004Z5Q MDL No:
Product Description
Catalog Number:
AG004Z5Q
Chemical Name:
Benzamide, N-[3-(1-ethylpropyl)-5-isoxazolyl]-2,6-dimethoxy-
CAS Number:
82558-72-3
Molecular Formula:
C17H22N2O4
Molecular Weight:
318.3676
IUPAC Name:
2,6-dimethoxy-N-(3-pentan-3-yl-1,2-oxazol-5-yl)benzamide
InChI:
InChI=1S/C17H22N2O4/c1-5-11(6-2)12-10-15(23-19-12)18-17(20)16-13(21-3)8-7-9-14(16)22-4/h7-11H,5-6H2,1-4H3,(H,18,20)
InChI Key:
WKYYKZKJALIJTP-UHFFFAOYSA-N
SMILES:
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)CC
Properties
Complexity:
364
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:
7
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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