200,000+ products from a single source!
sales@angenechem.com
301688-56-2 | 6-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CAS No: 301688-56-2 Catalog No: AG019GQD MDL No:MFCD01654775
Product Description
Catalog Number:
AG019GQD
Chemical Name:
6-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CAS Number:
301688-56-2
Molecular Formula:
C17H19NO4S2
Molecular Weight:
365.4671
MDL Number:
MFCD01654775
IUPAC Name:
6-[5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
InChI:
InChI=1S/C17H19NO4S2/c1-22-13-8-5-4-7-12(13)11-14-16(21)18(17(23)24-14)10-6-2-3-9-15(19)20/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,19,20)
InChI Key:
BFXVGOWNUZLOQR-UHFFFAOYSA-N
SMILES:
COc1ccccc1/C=C/1\SC(=S)N(C1=O)CCCCCC(=O)O
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.076g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.462g/mol
Monoisotopic Mass:
365.076g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| A novel class of inhibitors of peptide deformylase discovered through high-throughput screening and virtual ligand screening. | Journal of medicinal chemistry 20041230 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.