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82560-31-4 | ethyl 2-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-phenyl-amino]acetate
CAS No: 82560-31-4 Catalog No: AG00543Y MDL No:
Product Description
Catalog Number:
AG00543Y
Chemical Name:
ethyl 2-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-phenyl-amino]acetate
CAS Number:
82560-31-4
Molecular Formula:
C22H26N2O5S
Molecular Weight:
430.5172
IUPAC Name:
ethyl 2-(N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylanilino)acetate
InChI:
InChI=1S/C22H26N2O5S/c1-5-27-19(25)15-24(17-11-7-6-8-12-17)30-23(4)21(26)28-18-13-9-10-16-14-22(2,3)29-20(16)18/h6-13H,5,14-15H2,1-4H3
InChI Key:
ZBOAMQOYOPEPLX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN(c1ccccc1)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.156g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.519g/mol
Monoisotopic Mass:
430.156g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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