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82558-69-8 | Benzamide, 2,6-dimethoxy-N-[3-(1-methylcyclopentyl)-5-isoxazolyl]-
CAS No: 82558-69-8 Catalog No: AG004Z5S MDL No:
Product Description
Catalog Number:
AG004Z5S
Chemical Name:
Benzamide, 2,6-dimethoxy-N-[3-(1-methylcyclopentyl)-5-isoxazolyl]-
CAS Number:
82558-69-8
Molecular Formula:
C18H22N2O4
Molecular Weight:
330.3783
IUPAC Name:
2,6-dimethoxy-N-[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]benzamide
InChI:
InChI=1S/C18H22N2O4/c1-18(9-4-5-10-18)14-11-15(24-20-14)19-17(21)16-12(22-2)7-6-8-13(16)23-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,19,21)
InChI Key:
PVVDQHNENYPAOS-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=O)Nc1onc(c1)C1(C)CCCC1)OC
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.384g/mol
Monoisotopic Mass:
330.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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