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Home > Imidazoles > 478042-03-4
478042-03-4 | 1-{2,7-dimethylimidazo[1,2-a]pyridin-3-yl}-2-(phenylsulfanyl)ethan-1-one
CAS No: 478042-03-4 Catalog No: AG00IPP6 MDL No:MFCD02186774
Product Description
Catalog Number:
AG00IPP6
Chemical Name:
1-{2,7-dimethylimidazo[1,2-a]pyridin-3-yl}-2-(phenylsulfanyl)ethan-1-one
CAS Number:
478042-03-4
Molecular Formula:
C17H16N2OS
Molecular Weight:
296.3867
MDL Number:
MFCD02186774
IUPAC Name:
1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-phenylsulfanylethanone
InChI:
InChI=1S/C17H16N2OS/c1-12-8-9-19-16(10-12)18-13(2)17(19)15(20)11-21-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChI Key:
CDBQPALJQSMKSD-UHFFFAOYSA-N
SMILES:
Cc1ccn2c(c1)nc(c2C(=O)CSc1ccccc1)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.388g/mol
Monoisotopic Mass:
296.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| 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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