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138175-03-8

138175-03-8 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(4-phenyl-1-piperazinyl)ethoxy]-

CAS No: 138175-03-8 Catalog No: AG00184M MDL No:

Product Description

Catalog Number:
AG00184M
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(4-phenyl-1-piperazinyl)ethoxy]-
CAS Number:
138175-03-8
Molecular Formula:
C20H21N3O3
Molecular Weight:
351.3990
IUPAC Name:
2-[2-(4-phenylpiperazin-1-yl)ethoxy]isoindole-1,3-dione
InChI:
InChI=1S/C20H21N3O3/c24-19-17-8-4-5-9-18(17)20(25)23(19)26-15-14-21-10-12-22(13-11-21)16-6-2-1-3-7-16/h1-9H,10-15H2
InChI Key:
OJFHYEUWODTULH-UHFFFAOYSA-N
SMILES:
O=C1N(OCCN2CCN(CC2)c2ccccc2)C(=O)c2c1cccc2

Properties

Complexity:
488  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.158g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.406g/mol
Monoisotopic Mass:
351.158g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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