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Home > Pyridines > 306744-48-9
306744-48-9 | 2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-o-tolyl-acetamide
CAS No: 306744-48-9 Catalog No: AG01EUTP MDL No:
Product Description
Catalog Number:
AG01EUTP
Chemical Name:
2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-o-tolyl-acetamide
CAS Number:
306744-48-9
Molecular Formula:
C17H17N3OS
Molecular Weight:
311.4014
IUPAC Name:
2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
InChI:
InChI=1S/C17H17N3OS/c1-11-6-4-5-7-15(11)20-16(21)10-22-17-14(9-18)12(2)8-13(3)19-17/h4-8H,10H2,1-3H3,(H,20,21)
InChI Key:
YCBGYVGPUNBKET-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(nc1SCC(=O)Nc1ccccc1C)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.403g/mol
Monoisotopic Mass:
311.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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