200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 332018-70-9
332018-70-9 | 2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide
CAS No: 332018-70-9 Catalog No: AG01EV0L MDL No:
Product Description
Catalog Number:
AG01EV0L
Chemical Name:
2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide
CAS Number:
332018-70-9
Molecular Formula:
C27H20N4O4S
Molecular Weight:
496.5371
IUPAC Name:
2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide
InChI:
InChI=1S/C27H20N4O4S/c1-35-22-13-7-18(8-14-22)23-15-25(19-5-3-2-4-6-19)30-27(24(23)16-28)36-17-26(32)29-20-9-11-21(12-10-20)31(33)34/h2-15H,17H2,1H3,(H,29,32)
InChI Key:
RLAXPNSSRMPTKB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(nc(c1C#N)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
776
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.121g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
496.541g/mol
Monoisotopic Mass:
496.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.