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2935-91-3 | Propanamide, 3,3'-dithiobis[N-(phenylmethyl)-
CAS No: 2935-91-3 Catalog No: AG002Y5D MDL No:
Product Description
Catalog Number:
AG002Y5D
Chemical Name:
Propanamide, 3,3'-dithiobis[N-(phenylmethyl)-
CAS Number:
2935-91-3
Molecular Formula:
C20H24N2O2S2
Molecular Weight:
388.5468
IUPAC Name:
N-benzyl-3-[[3-(benzylamino)-3-oxopropyl]disulfanyl]propanamide
InChI:
InChI=1S/C20H24N2O2S2/c23-19(21-15-17-7-3-1-4-8-17)11-13-25-26-14-12-20(24)22-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,23)(H,22,24)
InChI Key:
WDYNEKRHRSXPNT-UHFFFAOYSA-N
SMILES:
O=C(NCc1ccccc1)CCSSCCC(=O)NCc1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.128g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
388.544g/mol
Monoisotopic Mass:
388.128g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Identification of novel parasitic cysteine protease inhibitors by use of virtual screening. 2. The available chemical directory. | Journal of medicinal chemistry 20060309 |
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