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886493-73-8 | 4-Methyl-N-[7-(5-methyl-furan-2-carbonyl)-2,3-dihydro-benzo[1,4]dioxin-6-yl]-benzenesulfonamide
CAS No: 886493-73-8 Catalog No: AG01EY8N MDL No:
Product Description
Catalog Number:
AG01EY8N
Chemical Name:
4-Methyl-N-[7-(5-methyl-furan-2-carbonyl)-2,3-dihydro-benzo[1,4]dioxin-6-yl]-benzenesulfonamide
CAS Number:
886493-73-8
Molecular Formula:
C21H19NO6S
Molecular Weight:
413.4437
IUPAC Name:
4-methyl-N-[7-(5-methylfuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzenesulfonamide
InChI:
InChI=1S/C21H19NO6S/c1-13-3-6-15(7-4-13)29(24,25)22-17-12-20-19(26-9-10-27-20)11-16(17)21(23)18-8-5-14(2)28-18/h3-8,11-12,22H,9-10H2,1-2H3
InChI Key:
WGGBZCOOSYXGSB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1cc2OCCOc2cc1C(=O)c1ccc(o1)C
Properties
Complexity:
684
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.093g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.444g/mol
Monoisotopic Mass:
413.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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