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Home > Bromides > 1800044-64-7
1800044-64-7 | Benzamide, N-[(1Z)-2-bromo-2-(4-methoxyphenyl)-1-(1-piperidinylcarbonyl)ethenyl]-
CAS No: 1800044-64-7 Catalog No: AG0021KT MDL No:
Product Description
Catalog Number:
AG0021KT
Chemical Name:
Benzamide, N-[(1Z)-2-bromo-2-(4-methoxyphenyl)-1-(1-piperidinylcarbonyl)ethenyl]-
CAS Number:
1800044-64-7
Molecular Formula:
C22H23BrN2O3
Molecular Weight:
443.3336
IUPAC Name:
N-[(Z)-1-bromo-1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
InChI:
InChI=1S/C22H23BrN2O3/c1-28-18-12-10-16(11-13-18)19(23)20(22(27)25-14-6-3-7-15-25)24-21(26)17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,24,26)/b20-19-
InChI Key:
XEKMIOYVDKYAIH-VXPUYCOJSA-N
SMILES:
COc1ccc(cc1)/C(=C(\C(=O)N1CCCCC1)/NC(=O)c1ccccc1)/Br
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
442.089g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
443.341g/mol
Monoisotopic Mass:
442.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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