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886493-70-5 | 4-Methyl-N-(7-phenylacetyl-2,3-dihydro-benzo[1,4]-dioxin-6-yl)-benzenesulfonamide
CAS No: 886493-70-5 Catalog No: AG01EY8M MDL No:
Product Description
Catalog Number:
AG01EY8M
Chemical Name:
4-Methyl-N-(7-phenylacetyl-2,3-dihydro-benzo[1,4]-dioxin-6-yl)-benzenesulfonamide
CAS Number:
886493-70-5
Molecular Formula:
C23H21NO5S
Molecular Weight:
423.4815
IUPAC Name:
4-methyl-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzenesulfonamide
InChI:
InChI=1S/C23H21NO5S/c1-16-7-9-18(10-8-16)30(26,27)24-20-15-23-22(28-11-12-29-23)14-19(20)21(25)13-17-5-3-2-4-6-17/h2-10,14-15,24H,11-13H2,1H3
InChI Key:
LXTFMLQMVXIJQV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1cc2OCCOc2cc1C(=O)Cc1ccccc1
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.114g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.483g/mol
Monoisotopic Mass:
423.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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