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115338-32-4 | 1H-Isoindole-1,3(2H)-dione, 2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-, hydrobromide (1:1)
CAS No: 115338-32-4 Catalog No: AG000GMH MDL No:
Product Description
Catalog Number:
AG000GMH
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-, hydrobromide (1:1)
CAS Number:
115338-32-4
Molecular Formula:
C23H28BrN3O3
Molecular Weight:
474.3907
IUPAC Name:
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione;hydrobromide
InChI:
InChI=1S/C23H27N3O3.BrH/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28;/h2-5,8-11H,6-7,12-17H2,1H3;1H
InChI Key:
AXRUEPFPTQYHQD-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2.Br
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.131g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
474.399g/mol
Monoisotopic Mass:
473.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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