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142979-81-5 | 2,4-Imidazolidinedione,5,5-bis[[[(4-bromophenyl)methyl]thio]methyl]-
CAS No: 142979-81-5 Catalog No: AG006X2D MDL No:
Product Description
Catalog Number:
AG006X2D
Chemical Name:
2,4-Imidazolidinedione,5,5-bis[[[(4-bromophenyl)methyl]thio]methyl]-
CAS Number:
142979-81-5
Molecular Formula:
C19H18Br2N2O2S2
Molecular Weight:
530.2964
IUPAC Name:
5,5-bis[(4-bromophenyl)methylsulfanylmethyl]imidazolidine-2,4-dione
InChI:
InChI=1S/C19H18Br2N2O2S2/c20-15-5-1-13(2-6-15)9-26-11-19(17(24)22-18(25)23-19)12-27-10-14-3-7-16(21)8-4-14/h1-8H,9-12H2,(H2,22,23,24,25)
InChI Key:
QFZJFKJFEKSJPP-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)NC1(CSCc1ccc(cc1)Br)CSCc1ccc(cc1)Br
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
529.916g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
530.293g/mol
Monoisotopic Mass:
527.918g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| 5,5-disubstituted hydantoins: syntheses and anti-HIV activity. | Journal of medicinal chemistry 19920918 |
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