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886493-97-6 | N-[2-(2-Bromo-propionyl)-4,5-dimethoxy-phenyl]-4-methyl-benzenesulfonamide
CAS No: 886493-97-6 Catalog No: AG01F4K9 MDL No:
Product Description
Catalog Number:
AG01F4K9
Chemical Name:
N-[2-(2-Bromo-propionyl)-4,5-dimethoxy-phenyl]-4-methyl-benzenesulfonamide
CAS Number:
886493-97-6
Molecular Formula:
C18H20BrNO5S
Molecular Weight:
442.3241
IUPAC Name:
N-[2-(2-bromopropanoyl)-4,5-dimethoxyphenyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C18H20BrNO5S/c1-11-5-7-13(8-6-11)26(22,23)20-15-10-17(25-4)16(24-3)9-14(15)18(21)12(2)19/h5-10,12,20H,1-4H3
InChI Key:
DAXQAUIZQXVIFX-UHFFFAOYSA-N
SMILES:
COc1cc(NS(=O)(=O)c2ccc(cc2)C)c(cc1OC)C(=O)C(Br)C
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.025g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
442.324g/mol
Monoisotopic Mass:
441.025g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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