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Home > Indoles and Oxindole > 75000-17-8
75000-17-8 | 1H-Isoindole-1,3(2H)-dione,2-[(4-phenyl-1-piperazinyl)methyl]-
CAS No: 75000-17-8 Catalog No: AG005EZP MDL No:
Product Description
Catalog Number:
AG005EZP
Chemical Name:
1H-Isoindole-1,3(2H)-dione,2-[(4-phenyl-1-piperazinyl)methyl]-
CAS Number:
75000-17-8
Molecular Formula:
C19H19N3O2
Molecular Weight:
321.3731
IUPAC Name:
2-[(4-phenylpiperazin-1-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C19H19N3O2/c23-18-16-8-4-5-9-17(16)19(24)22(18)14-20-10-12-21(13-11-20)15-6-2-1-3-7-15/h1-9H,10-14H2
InChI Key:
YMCOROZUWAOMPM-UHFFFAOYSA-N
SMILES:
O=C1N(CN2CCN(CC2)c2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.148g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.38g/mol
Monoisotopic Mass:
321.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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