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73845-35-9 | 4-benzylpiperazinyl 2-[(2-{[4-benzylpiperazinyl]carbonyl}phenyl)disulfanyl]phenyl ketone dihydrochloride
CAS No: 73845-35-9 Catalog No: AG005KB6 MDL No:
Product Description
Catalog Number:
AG005KB6
Chemical Name:
4-benzylpiperazinyl 2-[(2-{[4-benzylpiperazinyl]carbonyl}phenyl)disulfanyl]phenyl ketone dihydrochloride
CAS Number:
73845-35-9
Molecular Formula:
C36H40Cl2N4O2S2
Molecular Weight:
695.7644
IUPAC Name:
[2-[[2-(4-benzylpiperazine-1-carbonyl)phenyl]disulfanyl]phenyl]-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
InChI:
InChI=1S/C36H38N4O2S2.2ClH/c41-35(39-23-19-37(20-24-39)27-29-11-3-1-4-12-29)31-15-7-9-17-33(31)43-44-34-18-10-8-16-32(34)36(42)40-25-21-38(22-26-40)28-30-13-5-2-6-14-30;;/h1-18H,19-28H2;2*1H
InChI Key:
SFLGKNKYNPOVLF-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1SSc1ccccc1C(=O)N1CCN(CC1)Cc1ccccc1)N1CCN(CC1)Cc1ccccc1.Cl.Cl
Properties
Complexity:
823
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
694.197g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
695.762g/mol
Monoisotopic Mass:
694.197g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and antibacterial activity of 2,2'-dithiobis(benzamide) derivatives against Mycobacterium species. | Journal of medicinal chemistry 19851201 |
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