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Home > Indoles and Oxindole > 873445-71-7
873445-71-7 | 4-Piperidinol, 1-(1H-indol-3-ylmethyl)-4-[4-(methylthio)phenyl]-
CAS No: 873445-71-7 Catalog No: AG004HGT MDL No:
Product Description
Catalog Number:
AG004HGT
Chemical Name:
4-Piperidinol, 1-(1H-indol-3-ylmethyl)-4-[4-(methylthio)phenyl]-
CAS Number:
873445-71-7
Molecular Formula:
C21H24N2OS
Molecular Weight:
352.4931
IUPAC Name:
1-(1H-indol-3-ylmethyl)-4-(4-methylsulfanylphenyl)piperidin-4-ol
InChI:
InChI=1S/C21H24N2OS/c1-25-18-8-6-17(7-9-18)21(24)10-12-23(13-11-21)15-16-14-22-20-5-3-2-4-19(16)20/h2-9,14,22,24H,10-13,15H2,1H3
InChI Key:
MLCJDDIDLGWZFT-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.161g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.496g/mol
Monoisotopic Mass:
352.161g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Analogues of the dopamine D2 receptor antagonist L741,626: Binding, function, and SAR. | Bioorganic & medicinal chemistry letters 20070201 |
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