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5935-93-3 | 1-Butanone,1-(2-methyl-5-benzothiazolyl)-(7CI,8CI)
CAS No: 5935-93-3 Catalog No: AG00ER2A MDL No:
Product Description
Catalog Number:
AG00ER2A
Chemical Name:
1-Butanone,1-(2-methyl-5-benzothiazolyl)-(7CI,8CI)
CAS Number:
5935-93-3
IUPAC Name:
N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide
InChI:
InChI=1S/C17H19N5OS2.BrH/c1-10-15(25-17(18-10)19-11(2)23)14-9-24-16(21-14)20-12-5-7-13(8-6-12)22(3)4;/h5-9H,1-4H3,(H,20,21)(H,18,19,23);1H
InChI Key:
HBENDHXARQEVGK-UHFFFAOYSA-N
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.029g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
454.405g/mol
Monoisotopic Mass:
453.029g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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