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819883-91-5 | Benzamide, N-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butyl]-4-fluoro-
CAS No: 819883-91-5 Catalog No: AG005EPW MDL No:
Product Description
Catalog Number:
AG005EPW
Chemical Name:
Benzamide, N-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butyl]-4-fluoro-
CAS Number:
819883-91-5
Molecular Formula:
C21H24Cl2FN3O
Molecular Weight:
424.3392
IUPAC Name:
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-fluorobenzamide
InChI:
InChI=1S/C21H24Cl2FN3O/c22-18-4-3-5-19(20(18)23)27-14-12-26(13-15-27)11-2-1-10-25-21(28)16-6-8-17(24)9-7-16/h3-9H,1-2,10-15H2,(H,25,28)
InChI Key:
AGUZAIMBKPZTGP-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1cccc(c1Cl)Cl
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.128g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.341g/mol
Monoisotopic Mass:
423.128g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Structure-selectivity investigations of D2-like receptor ligands by CoMFA and CoMSIA guiding the discovery of D3 selective PET radioligands. | Journal of medicinal chemistry 20070208 |
| Synthesis and evaluation of 18F-labeled dopamine D3 receptor ligands as potential PET imaging agents. | Bioorganic & medicinal chemistry letters 20051101 |
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