200,000+ products from a single source!
sales@angenechem.com
138942-60-6 | Propanedinitrile, 2-[[(4-cyano-1-phenyl-1H-pyrazol-3-yl)amino]methylene]-
CAS No: 138942-60-6 Catalog No: AG0019W2 MDL No:
Product Description
Catalog Number:
AG0019W2
Chemical Name:
Propanedinitrile, 2-[[(4-cyano-1-phenyl-1H-pyrazol-3-yl)amino]methylene]-
CAS Number:
138942-60-6
Molecular Formula:
C14H8N6
Molecular Weight:
260.2535
IUPAC Name:
2-[[(4-cyano-1-phenylpyrazol-3-yl)amino]methylidene]propanedinitrile
InChI:
InChI=1S/C14H8N6/c15-6-11(7-16)9-18-14-12(8-17)10-20(19-14)13-4-2-1-3-5-13/h1-5,9-10H,(H,18,19)
InChI Key:
FFKSFPAMGZNDDZ-UHFFFAOYSA-N
SMILES:
N#CC(=CNc1nn(cc1C#N)c1ccccc1)C#N
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.081g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.26g/mol
Monoisotopic Mass:
260.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.