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713502-14-8 | N-(7-Acetyl-2,3-dihydro-benzo[1,4]dioxin-6-yl)-4-methyl-benzenesulfonamide
CAS No: 713502-14-8 Catalog No: AG01F4K7 MDL No:
Product Description
Catalog Number:
AG01F4K7
Chemical Name:
N-(7-Acetyl-2,3-dihydro-benzo[1,4]dioxin-6-yl)-4-methyl-benzenesulfonamide
CAS Number:
713502-14-8
Molecular Formula:
C17H17NO5S
Molecular Weight:
347.3856
IUPAC Name:
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C17H17NO5S/c1-11-3-5-13(6-4-11)24(20,21)18-15-10-17-16(22-7-8-23-17)9-14(15)12(2)19/h3-6,9-10,18H,7-8H2,1-2H3
InChI Key:
MOMQBPCWVHCLPG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1cc2OCCOc2cc1C(=O)C
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.083g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.385g/mol
Monoisotopic Mass:
347.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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 |
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