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Home > Pyridines > 886462-68-6
886462-68-6 | 4-Piperidinone, 1-[5-benzoyl-3-(4-pyridinyl)-2-thienyl]-
CAS No: 886462-68-6 Catalog No: AG004921 MDL No:
Product Description
Catalog Number:
AG004921
Chemical Name:
4-Piperidinone, 1-[5-benzoyl-3-(4-pyridinyl)-2-thienyl]-
CAS Number:
886462-68-6
Molecular Formula:
C21H18N2O2S
Molecular Weight:
362.4448
IUPAC Name:
1-(5-benzoyl-3-pyridin-4-ylthiophen-2-yl)piperidin-4-one
InChI:
InChI=1S/C21H18N2O2S/c24-17-8-12-23(13-9-17)21-18(15-6-10-22-11-7-15)14-19(26-21)20(25)16-4-2-1-3-5-16/h1-7,10-11,14H,8-9,12-13H2
InChI Key:
TWDIPUHDJDHLMD-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)c1sc(cc1c1ccncc1)C(=O)c1ccccc1
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.109g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.447g/mol
Monoisotopic Mass:
362.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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