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886493-76-1 | N-[4,5-Dimethoxy-2-(5-methyl-furan-2-carbonyl)-phenyl]-4-methyl-benzenesulfonamide
CAS No: 886493-76-1 Catalog No: AG01F3PO MDL No:
Product Description
Catalog Number:
AG01F3PO
Chemical Name:
N-[4,5-Dimethoxy-2-(5-methyl-furan-2-carbonyl)-phenyl]-4-methyl-benzenesulfonamide
CAS Number:
886493-76-1
Molecular Formula:
C21H21NO6S
Molecular Weight:
415.4595
IUPAC Name:
N-[4,5-dimethoxy-2-(5-methylfuran-2-carbonyl)phenyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C21H21NO6S/c1-13-5-8-15(9-6-13)29(24,25)22-17-12-20(27-4)19(26-3)11-16(17)21(23)18-10-7-14(2)28-18/h5-12,22H,1-4H3
InChI Key:
ZVQHGCVNKJIQBL-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1OC)NS(=O)(=O)c1ccc(cc1)C)C(=O)c1ccc(o1)C
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.109g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.46g/mol
Monoisotopic Mass:
415.109g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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