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17407-52-2 | Benzamide, 2,2'-dithiobis[N-(2-hydroxyphenyl)- (9CI)
CAS No: 17407-52-2 Catalog No: AG001ZG4 MDL No:
Product Description
Catalog Number:
AG001ZG4
Chemical Name:
Benzamide, 2,2'-dithiobis[N-(2-hydroxyphenyl)- (9CI)
CAS Number:
17407-52-2
Molecular Formula:
C26H20N2O4S2
Molecular Weight:
488.5780
IUPAC Name:
N-(2-hydroxyphenyl)-2-[[2-[(2-hydroxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide
InChI:
InChI=1S/C26H20N2O4S2/c29-21-13-5-3-11-19(21)27-25(31)17-9-1-7-15-23(17)33-34-24-16-8-2-10-18(24)26(32)28-20-12-4-6-14-22(20)30/h1-16,29-30H,(H,27,31)(H,28,32)
InChI Key:
DAGLHPNDIGVKFI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1SSc1ccccc1C(=O)Nc1ccccc1O)Nc1ccccc1O
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.086g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
488.576g/mol
Monoisotopic Mass:
488.086g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| A new class of anti-HIV-1 agents targeted toward the nucleocapsid protein NCp7: the 2,2'-dithiobisbenzamides. | Bioorganic & medicinal chemistry 19970301 |
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