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93805-41-5 | N,N-DIMETHYL-4-[2-METHYL-4-[2-(4-OXO-1-CYCLOHEXA-2,5-DIENYLIDENE)HYDRAZINYL]PHENYL]DIAZENYL-BENZENESULFONAMIDE
CAS No: 93805-41-5 Catalog No: AG006D1A MDL No:
Product Description
Catalog Number:
AG006D1A
Chemical Name:
N,N-DIMETHYL-4-[2-METHYL-4-[2-(4-OXO-1-CYCLOHEXA-2,5-DIENYLIDENE)HYDRAZINYL]PHENYL]DIAZENYL-BENZENESULFONAMIDE
CAS Number:
93805-41-5
Molecular Formula:
C21H21N5O3S
Molecular Weight:
423.4881
IUPAC Name:
4-[[4-[(4-hydroxyphenyl)diazenyl]-2-methylphenyl]diazenyl]-N,N-dimethylbenzenesulfonamide
InChI:
InChI=1S/C21H21N5O3S/c1-15-14-18(24-22-16-4-9-19(27)10-5-16)8-13-21(15)25-23-17-6-11-20(12-7-17)30(28,29)26(2)3/h4-14,27H,1-3H3
InChI Key:
XCNHNPFUBLPDED-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=NNc2ccc(c(c2)C)N=Nc2ccc(cc2)S(=O)(=O)N(C)C)C=C1
EC Number:
298-525-5
Properties
Complexity:
690
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.137g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.491g/mol
Monoisotopic Mass:
423.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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