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75000-24-7 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(4-phenyl-1-piperazinyl)ethyl]-
CAS No: 75000-24-7 Catalog No: AG0057D2 MDL No:
Product Description
Catalog Number:
AG0057D2
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(4-phenyl-1-piperazinyl)ethyl]-
CAS Number:
75000-24-7
Molecular Formula:
C20H21N3O2
Molecular Weight:
335.3996
IUPAC Name:
2-[2-(4-phenylpiperazin-1-yl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C20H21N3O2/c24-19-17-8-4-5-9-18(17)20(25)23(19)15-12-21-10-13-22(14-11-21)16-6-2-1-3-7-16/h1-9H,10-15H2
InChI Key:
XJIVMDLRFJXHEY-UHFFFAOYSA-N
SMILES:
O=C1N(CCN2CCN(CC2)c2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.407g/mol
Monoisotopic Mass:
335.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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