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85392-15-0 | Benzonitrile, 3,5-dichloro-4-((4-((2-(diethylamino)-4-phenyl-5-thiazolyl)azo)-2,5-dimethoxyphenyl)azo)-
CAS No: 85392-15-0 Catalog No: AG004KQ4 MDL No:
Product Description
Catalog Number:
AG004KQ4
Chemical Name:
Benzonitrile, 3,5-dichloro-4-((4-((2-(diethylamino)-4-phenyl-5-thiazolyl)azo)-2,5-dimethoxyphenyl)azo)-
CAS Number:
85392-15-0
Molecular Formula:
C28H25Cl2N7O2S
Molecular Weight:
594.5148
IUPAC Name:
3,5-dichloro-4-[[4-[[2-(diethylamino)-4-phenyl-1,3-thiazol-5-yl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]benzonitrile
InChI:
InChI=1S/C28H25Cl2N7O2S/c1-5-37(6-2)28-32-25(18-10-8-7-9-11-18)27(40-28)36-34-22-15-23(38-3)21(14-24(22)39-4)33-35-26-19(29)12-17(16-31)13-20(26)30/h7-15H,5-6H2,1-4H3
InChI Key:
OGZYKGDEWBLSPP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)c(c(c1)Cl)N=Nc1cc(OC)c(cc1OC)N=Nc1sc(nc1c1ccccc1)N(CC)CC
EC Number:
286-873-0
Properties
Complexity:
885
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
593.117g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
594.515g/mol
Monoisotopic Mass:
593.117g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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