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373370-93-5 | N-[2-(3-Bromo-benzoyl)-4,5-dimethoxy-phenyl]-4-methyl-benzenesulfonamide
CAS No: 373370-93-5 Catalog No: AG01F4RJ MDL No:
Product Description
Catalog Number:
AG01F4RJ
Chemical Name:
N-[2-(3-Bromo-benzoyl)-4,5-dimethoxy-phenyl]-4-methyl-benzenesulfonamide
CAS Number:
373370-93-5
Molecular Formula:
C22H20BrNO5S
Molecular Weight:
490.3669
IUPAC Name:
N-[2-(3-bromobenzoyl)-4,5-dimethoxyphenyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C22H20BrNO5S/c1-14-7-9-17(10-8-14)30(26,27)24-19-13-21(29-3)20(28-2)12-18(19)22(25)15-5-4-6-16(23)11-15/h4-13,24H,1-3H3
InChI Key:
RWVDIJTZLRCHAT-UHFFFAOYSA-N
SMILES:
COc1cc(NS(=O)(=O)c2ccc(cc2)C)c(cc1OC)C(=O)c1cccc(c1)Br
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.025g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
490.368g/mol
Monoisotopic Mass:
489.025g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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