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Home > Indoles and Oxindole > 95604-92-5
95604-92-5 | 1H-Isoindole-1,3(2H)-dione, 2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-
CAS No: 95604-92-5 Catalog No: AG006CCL MDL No:
Product Description
Catalog Number:
AG006CCL
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-
CAS Number:
95604-92-5
Molecular Formula:
C20H23N5O2
Molecular Weight:
365.4289
IUPAC Name:
2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione
InChI:
InChI=1S/C20H23N5O2/c26-18-16-6-1-2-7-17(16)19(27)25(18)11-4-3-10-23-12-14-24(15-13-23)20-21-8-5-9-22-20/h1-2,5-9H,3-4,10-15H2
InChI Key:
QFMFYDYACBTMIQ-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)c2c1cccc2
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.185g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.437g/mol
Monoisotopic Mass:
365.185g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| The design and preparation of metabolically protected new arylpiperazine 5-HT1A ligands. | Bioorganic & medicinal chemistry letters 20040405 |
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