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1000576-66-8 | 4-Bromo-2-(4-methylphenylsulfonyl)thiazole-5-carboxylic acid diethylamide
CAS No: 1000576-66-8 Catalog No: AG01F4KH MDL No:
Product Description
Catalog Number:
AG01F4KH
Chemical Name:
4-Bromo-2-(4-methylphenylsulfonyl)thiazole-5-carboxylic acid diethylamide
CAS Number:
1000576-66-8
Molecular Formula:
C15H17BrN2O3S2
Molecular Weight:
417.3411
IUPAC Name:
4-bromo-N,N-diethyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole-5-carboxamide
InChI:
InChI=1S/C15H17BrN2O3S2/c1-4-18(5-2)14(19)12-13(16)17-15(22-12)23(20,21)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChI Key:
YMMGMZOWQLHGLZ-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1sc(nc1Br)S(=O)(=O)c1ccc(cc1)C)CC
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.986g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
417.336g/mol
Monoisotopic Mass:
415.986g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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