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82560-27-8 | Glycine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(2-ethoxy-2-oxoethyl)-, ethyl ester
CAS No: 82560-27-8 Catalog No: AG005EY2 MDL No:
Product Description
Catalog Number:
AG005EY2
Chemical Name:
Glycine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(2-ethoxy-2-oxoethyl)-, ethyl ester
CAS Number:
82560-27-8
Molecular Formula:
C20H28N2O7S
Molecular Weight:
440.5105
IUPAC Name:
ethyl 2-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(2-ethoxy-2-oxoethyl)amino]acetate
InChI:
InChI=1S/C20H28N2O7S/c1-6-26-16(23)12-22(13-17(24)27-7-2)30-21(5)19(25)28-15-10-8-9-14-11-20(3,4)29-18(14)15/h8-10H,6-7,11-13H2,1-5H3
InChI Key:
XHHUSSSLQJSOHC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CC(=O)OCC
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.162g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.511g/mol
Monoisotopic Mass:
440.162g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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