200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114518-14-8
114518-14-8 | Piperazine, 1-(2-methoxyphenyl)-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]-
CAS No: 114518-14-8 Catalog No: AG000EME MDL No:
Product Description
Catalog Number:
AG000EME
Chemical Name:
Piperazine, 1-(2-methoxyphenyl)-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]-
CAS Number:
114518-14-8
Molecular Formula:
C21H24N4O
Molecular Weight:
348.4415
IUPAC Name:
1-(2-methoxyphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine
InChI:
InChI=1S/C21H24N4O/c1-26-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-18-15-22-25(17-18)19-7-3-2-4-8-19/h2-10,15,17H,11-14,16H2,1H3
InChI Key:
VFDZFYCKUWKAKM-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1CCN(CC1)Cc1cnn(c1)c1ccccc1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.195g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.45g/mol
Monoisotopic Mass:
348.195g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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 biological investigations of dopaminergic partial agonists preferentially recognizing the D4 receptor subtype. | Bioorganic & medicinal chemistry letters 20060601 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.