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Home > Nitro Compounds > 332101-02-7
332101-02-7 | 2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(3-nitro-phenyl)-propionamide
CAS No: 332101-02-7 Catalog No: AG01EV2A MDL No:
Product Description
Catalog Number:
AG01EV2A
Chemical Name:
2-[3-Cyano-4-(4-methoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(3-nitro-phenyl)-propionamide
CAS Number:
332101-02-7
Molecular Formula:
C28H22N4O4S
Molecular Weight:
510.5637
IUPAC Name:
2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(3-nitrophenyl)propanamide
InChI:
InChI=1S/C28H22N4O4S/c1-18(27(33)30-21-9-6-10-22(15-21)32(34)35)37-28-25(17-29)24(19-11-13-23(36-2)14-12-19)16-26(31-28)20-7-4-3-5-8-20/h3-16,18H,1-2H3,(H,30,33)
InChI Key:
MNTDTJONYQQTII-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(nc(c1C#N)SC(C(=O)Nc1cccc(c1)[N+](=O)[O-])C)c1ccccc1
Properties
Complexity:
815
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:
7
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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