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82558-78-9 | Benzamide, 2,6-dimethoxy-N-[3-(1-methyl-1-phenylethyl)-5-isoxazolyl]-
CAS No: 82558-78-9 Catalog No: AG004U7C MDL No:
Product Description
Catalog Number:
AG004U7C
Chemical Name:
Benzamide, 2,6-dimethoxy-N-[3-(1-methyl-1-phenylethyl)-5-isoxazolyl]-
CAS Number:
82558-78-9
Molecular Formula:
C21H22N2O4
Molecular Weight:
366.4104
IUPAC Name:
2,6-dimethoxy-N-[3-(2-phenylpropan-2-yl)-1,2-oxazol-5-yl]benzamide
InChI:
InChI=1S/C21H22N2O4/c1-21(2,14-9-6-5-7-10-14)17-13-18(27-23-17)22-20(24)19-15(25-3)11-8-12-16(19)26-4/h5-13H,1-4H3,(H,22,24)
InChI Key:
KQCOHUIYIWCRAH-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=O)Nc1onc(c1)C(c1ccccc1)(C)C)OC
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.158g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.417g/mol
Monoisotopic Mass:
366.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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