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Home > Pyridines > 851175-85-4
851175-85-4 | 5-cyano-N,N-diethyl-4-(furan-2-yl)-2-methyl-6-sulfanylpyridine-3-carboxamide
CAS No: 851175-85-4 Catalog No: AG019NSN MDL No:MFCD06373457
Product Description
Catalog Number:
AG019NSN
Chemical Name:
5-cyano-N,N-diethyl-4-(furan-2-yl)-2-methyl-6-sulfanylpyridine-3-carboxamide
CAS Number:
851175-85-4
Molecular Formula:
C16H17N3O2S
Molecular Weight:
315.3901
MDL Number:
MFCD06373457
IUPAC Name:
5-cyano-N,N-diethyl-4-(furan-2-yl)-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxamide
InChI:
InChI=1S/C16H17N3O2S/c1-4-19(5-2)16(20)13-10(3)18-15(22)11(9-17)14(13)12-7-6-8-21-12/h6-8H,4-5H2,1-3H3,(H,18,22)
InChI Key:
QHUNUQMWHATEHZ-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1c(C)nc(c(c1c1ccco1)C#N)S)CC
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.391g/mol
Monoisotopic Mass:
315.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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