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478042-00-1 | 1-{2,7-dimethylimidazo[1,2-a]pyridin-3-yl}-2-[(4-methylphenyl)sulfanyl]ethan-1-one
CAS No: 478042-00-1 Catalog No: AG00IPP5 MDL No:MFCD02186771
Product Description
Catalog Number:
AG00IPP5
Chemical Name:
1-{2,7-dimethylimidazo[1,2-a]pyridin-3-yl}-2-[(4-methylphenyl)sulfanyl]ethan-1-one
CAS Number:
478042-00-1
Molecular Formula:
C18H18N2OS
Molecular Weight:
310.4133
MDL Number:
MFCD02186771
IUPAC Name:
1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone
InChI:
InChI=1S/C18H18N2OS/c1-12-4-6-15(7-5-12)22-11-16(21)18-14(3)19-17-10-13(2)8-9-20(17)18/h4-10H,11H2,1-3H3
InChI Key:
VEWDYHAEZOYWLC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)SCC(=O)c1c(C)nc2n1ccc(c2)C
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.415g/mol
Monoisotopic Mass:
310.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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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