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159304-84-4 | Benzamide, N-(4-bromophenyl)-4-methoxy-3-(4-methyl-1-piperazinyl)-
CAS No: 159304-84-4 Catalog No: AG001QLW MDL No:
Product Description
Catalog Number:
AG001QLW
Chemical Name:
Benzamide, N-(4-bromophenyl)-4-methoxy-3-(4-methyl-1-piperazinyl)-
CAS Number:
159304-84-4
Molecular Formula:
C19H22BrN3O2
Molecular Weight:
404.3009
IUPAC Name:
N-(4-bromophenyl)-4-methoxy-3-(4-methylpiperazin-1-yl)benzamide
InChI:
InChI=1S/C19H22BrN3O2/c1-22-9-11-23(12-10-22)17-13-14(3-8-18(17)25-2)19(24)21-16-6-4-15(20)5-7-16/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChI Key:
BKMXFQBNOLRZRH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N1CCN(CC1)C)C(=O)Nc1ccc(cc1)Br
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.09g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.308g/mol
Monoisotopic Mass:
403.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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