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28666-89-9 | Thiazolo[3,2-a]pyrimidin-4-ium, 5,7-dimethyl-3-phenyl-, perchlorate (1:1)
CAS No: 28666-89-9 Catalog No: AG002W16 MDL No:
Product Description
Catalog Number:
AG002W16
Chemical Name:
Thiazolo[3,2-a]pyrimidin-4-ium, 5,7-dimethyl-3-phenyl-, perchlorate (1:1)
CAS Number:
28666-89-9
Molecular Formula:
C14H13ClN2O4S
Molecular Weight:
340.7820
IUPAC Name:
5,7-dimethyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium;perchlorate
InChI:
InChI=1S/C14H13N2S.ClHO4/c1-10-8-11(2)16-13(9-17-14(16)15-10)12-6-4-3-5-7-12;2-1(3,4)5/h3-9H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
AZLTVPHVOBLLOC-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1cc(C)[n+]2c(n1)scc2c1ccccc1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.028g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.778g/mol
Monoisotopic Mass:
340.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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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