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Home > Nitro Compounds > 332155-79-0
332155-79-0 | 2-[3-Cyano-6-(4-methoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-(4-methyl-3-nitro-phenyl)-propionamide
CAS No: 332155-79-0 Catalog No: AG01EV4S MDL No:
Product Description
Catalog Number:
AG01EV4S
Chemical Name:
2-[3-Cyano-6-(4-methoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-(4-methyl-3-nitro-phenyl)-propionamide
CAS Number:
332155-79-0
Molecular Formula:
C29H24N4O4S
Molecular Weight:
524.5903
IUPAC Name:
2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(4-methyl-3-nitrophenyl)propanamide
InChI:
InChI=1S/C29H24N4O4S/c1-18-9-12-22(15-27(18)33(35)36)31-28(34)19(2)38-29-25(17-30)24(20-7-5-4-6-8-20)16-26(32-29)21-10-13-23(37-3)14-11-21/h4-16,19H,1-3H3,(H,31,34)
InChI Key:
XPHOOXHJZZHXDK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(SC(C(=O)Nc2ccc(c(c2)[N+](=O)[O-])C)C)c(c(c1)c1ccccc1)C#N
Properties
Complexity:
845
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.152g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
524.595g/mol
Monoisotopic Mass:
524.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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