200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 685108-55-8
685108-55-8 | 7-(2H-1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CAS No: 685108-55-8 Catalog No: AG00INJL MDL No:MFCD03617583
Product Description
Catalog Number:
AG00INJL
Chemical Name:
7-(2H-1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CAS Number:
685108-55-8
Molecular Formula:
C21H14N4O3
Molecular Weight:
370.3609
MDL Number:
MFCD03617583
IUPAC Name:
7-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
InChI:
InChI=1S/C21H14N4O3/c1-26-15-4-2-3-14(9-15)20-23-21-17(11-22)16(7-8-25(21)24-20)13-5-6-18-19(10-13)28-12-27-18/h2-10H,12H2,1H3
InChI Key:
AXOWKAWDXDPKQF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1nc2n(n1)ccc(c2C#N)c1ccc2c(c1)OCO2
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.107g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.368g/mol
Monoisotopic Mass:
370.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.