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1323140-58-4 | Benzamide, N-[(1Z)-2-chloro-2-(2-methoxyphenyl)-1-(1-piperidinylcarbonyl)ethenyl]-
CAS No: 1323140-58-4 Catalog No: AG0010J4 MDL No:
Product Description
Catalog Number:
AG0010J4
Chemical Name:
Benzamide, N-[(1Z)-2-chloro-2-(2-methoxyphenyl)-1-(1-piperidinylcarbonyl)ethenyl]-
CAS Number:
1323140-58-4
Molecular Formula:
C22H23ClN2O3
Molecular Weight:
398.8826
IUPAC Name:
N-[(Z)-1-chloro-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
InChI:
InChI=1S/C22H23ClN2O3/c1-28-18-13-7-6-12-17(18)19(23)20(22(27)25-14-8-3-9-15-25)24-21(26)16-10-4-2-5-11-16/h2,4-7,10-13H,3,8-9,14-15H2,1H3,(H,24,26)/b20-19-
InChI Key:
VBWQGNRGGOTETC-VXPUYCOJSA-N
SMILES:
COc1ccccc1/C(=C(\C(=O)N1CCCCC1)/NC(=O)c1ccccc1)/Cl
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
398.14g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.887g/mol
Monoisotopic Mass:
398.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Phenylpropenamide derivatives: anti-hepatitis B virus activity of the Z isomer, SAR and the search for novel analogs. | Bioorganic & medicinal chemistry letters 20110801 |
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