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174562-21-1 | 5-Thiazolecarbonitrile, 2-[2-[4-[butyl(1-methylpropyl)amino]phenyl]diazenyl]-4-methoxy-
CAS No: 174562-21-1 Catalog No: AG001ZS6 MDL No:
Product Description
Catalog Number:
AG001ZS6
Chemical Name:
5-Thiazolecarbonitrile, 2-[2-[4-[butyl(1-methylpropyl)amino]phenyl]diazenyl]-4-methoxy-
CAS Number:
174562-21-1
Molecular Formula:
C19H25N5OS
Molecular Weight:
371.4997
IUPAC Name:
2-[[4-[butan-2-yl(butyl)amino]phenyl]diazenyl]-4-methoxy-1,3-thiazole-5-carbonitrile
InChI:
InChI=1S/C19H25N5OS/c1-5-7-12-24(14(3)6-2)16-10-8-15(9-11-16)22-23-19-21-18(25-4)17(13-20)26-19/h8-11,14H,5-7,12H2,1-4H3
InChI Key:
XTXBWCYYJOUQDD-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(cc1)N=Nc1nc(c(s1)C#N)OC)C(CC)C
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.178g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.503g/mol
Monoisotopic Mass:
371.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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