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Home > Pyridines > 150013-70-0
150013-70-0 | Pyridine, 1,2,3,6-tetrahydro-4-phenyl-1-[[(1R)-3-phenyl-3-cyclohexen-1-yl]methyl]-
CAS No: 150013-70-0 Catalog No: AG001M8C MDL No:
Product Description
Catalog Number:
AG001M8C
Chemical Name:
Pyridine, 1,2,3,6-tetrahydro-4-phenyl-1-[[(1R)-3-phenyl-3-cyclohexen-1-yl]methyl]-
CAS Number:
150013-70-0
Molecular Formula:
C24H27N
Molecular Weight:
329.4779
IUPAC Name:
4-phenyl-1-[[(1R)-3-phenylcyclohex-3-en-1-yl]methyl]-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
InChI Key:
XBGWTWPYCTZIIE-HXUWFJFHSA-N
SMILES:
c1ccc(cc1)C1=CCN(CC1)C[C@@H]1CCC=C(C1)c1ccccc1
UNII:
Z5XDS9Z25L
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
329.214g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.487g/mol
Monoisotopic Mass:
329.214g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Dopamine release in human neocortical slices: characterization of inhibitory autoreceptors and of nicotinic acetylcholine receptor-evoked release. | Brain research bulletin 20060130 |
| Molecular modeling of the three-dimensional structure of dopamine 3 (D3) subtype receptor: discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach. | Journal of medicinal chemistry 20031009 |
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