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339102-45-3 | (E)-N-(3-cyano-4-methoxypyridin-2-yl)-N'-[(4-methylphenyl)methoxy]methanimidamide
CAS No: 339102-45-3 Catalog No: AG00IVT1 MDL No:MFCD00975482
Product Description
Catalog Number:
AG00IVT1
Chemical Name:
(E)-N-(3-cyano-4-methoxypyridin-2-yl)-N'-[(4-methylphenyl)methoxy]methanimidamide
CAS Number:
339102-45-3
Molecular Formula:
C16H16N4O2
Molecular Weight:
296.3238
MDL Number:
MFCD00975482
IUPAC Name:
N'-(3-cyano-4-methoxypyridin-2-yl)-N-[(4-methylphenyl)methoxy]methanimidamide
InChI:
InChI=1S/C16H16N4O2/c1-12-3-5-13(6-4-12)10-22-20-11-19-16-14(9-17)15(21-2)7-8-18-16/h3-8,11H,10H2,1-2H3,(H,18,19,20)
InChI Key:
PHDSKDNWCCAVDY-UHFFFAOYSA-N
SMILES:
N#Cc1c(N/C=N/OCc2ccc(cc2)C)nccc1OC
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.33g/mol
Monoisotopic Mass:
296.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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