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25962-05-4 | 4-Thiazolidinone, 3-ethyl-5-[2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-2-thioxo-
CAS No: 25962-05-4 Catalog No: AG002R85 MDL No:
Product Description
Catalog Number:
AG002R85
Chemical Name:
4-Thiazolidinone, 3-ethyl-5-[2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-2-thioxo-
CAS Number:
25962-05-4
Molecular Formula:
C16H16N2O2S2
Molecular Weight:
332.4404
IUPAC Name:
(5Z)-3-ethyl-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C16H16N2O2S2/c1-3-17-11-7-5-6-8-12(11)20-14(17)10-9-13-15(19)18(4-2)16(21)22-13/h5-10H,3-4H2,1-2H3/b13-9-,14-10-
InChI Key:
YAORVROFPFPJJU-FOIMCPNXSA-N
SMILES:
CCN1C(=S)SC(=CC=c2oc3c(n2CC)cccc3)C1=O
EC Number:
247-374-3
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
332.065g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.436g/mol
Monoisotopic Mass:
332.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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