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Home > Imidazoles > 142979-83-7
142979-83-7 | Benzonitrile,4,4'-[(2,5-dioxo-4-imidazolidinylidene)bis(methylenethiomethylene)]bis- (9CI)
CAS No: 142979-83-7 Catalog No: AG006X2C MDL No:
Product Description
Catalog Number:
AG006X2C
Chemical Name:
Benzonitrile,4,4'-[(2,5-dioxo-4-imidazolidinylidene)bis(methylenethiomethylene)]bis- (9CI)
CAS Number:
142979-83-7
Molecular Formula:
C21H18N4O2S2
Molecular Weight:
422.5232
IUPAC Name:
4-[[4-[(4-cyanophenyl)methylsulfanylmethyl]-2,5-dioxoimidazolidin-4-yl]methylsulfanylmethyl]benzonitrile
InChI:
InChI=1S/C21H18N4O2S2/c22-9-15-1-5-17(6-2-15)11-28-13-21(19(26)24-20(27)25-21)14-29-12-18-7-3-16(10-23)4-8-18/h1-8H,11-14H2,(H2,24,25,26,27)
InChI Key:
XHNNGPYOUAGHSY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CSCC1(CSCc2ccc(cc2)C#N)NC(=O)NC1=O
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.087g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
422.521g/mol
Monoisotopic Mass:
422.087g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| 5,5-disubstituted hydantoins: syntheses and anti-HIV activity. | Journal of medicinal chemistry 19920918 |
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