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170466-78-1 | 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethan-1-one
CAS No: 170466-78-1 Catalog No: AG01B5XY MDL No:MFCD02323020
Product Description
Catalog Number:
AG01B5XY
Chemical Name:
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethan-1-one
CAS Number:
170466-78-1
MDL Number:
MFCD02323020
IUPAC Name:
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
InChI:
InChI=1S/C14H15NO3S/c1-3-9-4-10(12(17)5-11(9)16)13(18)6-14-15-8(2)7-19-14/h4-5,7,16-17H,3,6H2,1-2H3
InChI Key:
HHGCUIHTQQLUBS-UHFFFAOYSA-N
SMILES:
CCc1cc(C(=O)Cc2scc(n2)C)c(cc1O)O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.338g/mol
Monoisotopic Mass:
277.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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