200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 334497-78-8
334497-78-8 | 2-[3-Cyano-6-(4-ethoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-(3-nitro-phenyl)-acetamide
CAS No: 334497-78-8 Catalog No: AG01EVFP MDL No:
Product Description
Catalog Number:
AG01EVFP
Chemical Name:
2-[3-Cyano-6-(4-ethoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-(3-nitro-phenyl)-acetamide
CAS Number:
334497-78-8
Molecular Formula:
C28H22N4O4S
Molecular Weight:
510.5637
IUPAC Name:
2-[3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide
InChI:
InChI=1S/C28H22N4O4S/c1-2-36-23-13-11-20(12-14-23)26-16-24(19-7-4-3-5-8-19)25(17-29)28(31-26)37-18-27(33)30-21-9-6-10-22(15-21)32(34)35/h3-16H,2,18H2,1H3,(H,30,33)
InChI Key:
KKTFJNSVVJXONW-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)c1nc(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])c(c(c1)c1ccccc1)C#N
Properties
Complexity:
800
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.136g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
510.568g/mol
Monoisotopic Mass:
510.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.