Home Sulfos 1-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethan-1-one

1-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethan-1-one

CAS No.:
847939-23-5
Catalog Number:
AG01C5LF
Molecular Formula:
C23H24N2O6S
Molecular Weight:
456.5115
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Product Description
Catalog Number:
AG01C5LF
Chemical Name:
1-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethan-1-one
CAS Number:
847939-23-5
Molecular Formula:
C23H24N2O6S
Molecular Weight:
456.5115
MDL Number:
MFCD07314724
IUPAC Name:
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
InChI:
InChI=1S/C23H24N2O6S/c1-16-2-4-19-17(15-31-21(19)12-16)13-23(26)24-6-8-25(9-7-24)32(27,28)18-3-5-20-22(14-18)30-11-10-29-20/h2-5,12,14-15H,6-11,13H2,1H3
InChI Key:
HJVYLFAPJPGKEE-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)occ2CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)OCCO2
Properties
Complexity:
778  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.136g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.513g/mol
Monoisotopic Mass:
456.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties