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Home > Imidazoles > 380435-06-3
380435-06-3 | 2-[({imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]benzoic acid
CAS No: 380435-06-3 Catalog No: AG019KEC MDL No:MFCD03150982
Product Description
Catalog Number:
AG019KEC
Chemical Name:
2-[({imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]benzoic acid
CAS Number:
380435-06-3
Molecular Formula:
C15H12N2O2S
Molecular Weight:
284.3330
MDL Number:
MFCD03150982
IUPAC Name:
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid
InChI:
InChI=1S/C15H12N2O2S/c18-15(19)12-5-1-2-6-13(12)20-10-11-9-17-8-4-3-7-14(17)16-11/h1-9H,10H2,(H,18,19)
InChI Key:
CBAVIAGQTYCOIL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1SCc1nc2n(c1)cccc2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.333g/mol
Monoisotopic Mass:
284.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.9A^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 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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