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920953-28-2 | N-(2-(benzofuran-2-yl)benzyl)-3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-sulfonamide
CAS No: 920953-28-2 Catalog No: AG00H554 MDL No:
Product Description
Catalog Number:
AG00H554
Chemical Name:
N-(2-(benzofuran-2-yl)benzyl)-3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-sulfonamide
CAS Number:
920953-28-2
IUPAC Name:
N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
InChI:
InChI=1S/C24H21NO5S/c26-31(27,19-10-11-22-24(15-19)29-13-5-12-28-22)25-16-18-7-1-3-8-20(18)23-14-17-6-2-4-9-21(17)30-23/h1-4,6-11,14-15,25H,5,12-13,16H2
InChI Key:
SLMBPADTHJRUBU-UHFFFAOYSA-N
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.114g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
435.494g/mol
Monoisotopic Mass:
435.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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