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94199-50-5 | BENZYL N-[4-[[4,5-DICYANO-1-(CYANOMETHYL)-1H-IMIDAZOL-2-YL]AZO]PHENYL]-N-METHYLGLYCINATE
CAS No: 94199-50-5 Catalog No: AG005SZK MDL No:
Product Description
Catalog Number:
AG005SZK
Chemical Name:
BENZYL N-[4-[[4,5-DICYANO-1-(CYANOMETHYL)-1H-IMIDAZOL-2-YL]AZO]PHENYL]-N-METHYLGLYCINATE
CAS Number:
94199-50-5
Molecular Formula:
C23H18N8O2
Molecular Weight:
438.4414
IUPAC Name:
benzyl 2-[4-[[4,5-dicyano-1-(cyanomethyl)imidazol-2-yl]diazenyl]-N-methylanilino]acetate
InChI:
InChI=1S/C23H18N8O2/c1-30(15-22(32)33-16-17-5-3-2-4-6-17)19-9-7-18(8-10-19)28-29-23-27-20(13-25)21(14-26)31(23)12-11-24/h2-10H,12,15-16H2,1H3
InChI Key:
GORZOAWJKSYZIM-UHFFFAOYSA-N
SMILES:
N#CCn1c(N=Nc2ccc(cc2)N(CC(=O)OCc2ccccc2)C)nc(c1C#N)C#N
EC Number:
303-423-1
Properties
Complexity:
834
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.155g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.451g/mol
Monoisotopic Mass:
438.155g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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