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88324-69-0 | 1-Propanone, 2-methyl-1-[4-(phenylthio)phenyl]-2-(1-piperidinyl)-
CAS No: 88324-69-0 Catalog No: AG0047LK MDL No:
Product Description
Catalog Number:
AG0047LK
Chemical Name:
1-Propanone, 2-methyl-1-[4-(phenylthio)phenyl]-2-(1-piperidinyl)-
CAS Number:
88324-69-0
Molecular Formula:
C21H25NOS
Molecular Weight:
339.4943
IUPAC Name:
2-methyl-1-(4-phenylsulfanylphenyl)-2-piperidin-1-ylpropan-1-one
InChI:
InChI=1S/C21H25NOS/c1-21(2,22-15-7-4-8-16-22)20(23)17-11-13-19(14-12-17)24-18-9-5-3-6-10-18/h3,5-6,9-14H,4,7-8,15-16H2,1-2H3
InChI Key:
FLPRQMODWXFEBC-UHFFFAOYSA-N
SMILES:
O=C(C(N1CCCCC1)(C)C)c1ccc(cc1)Sc1ccccc1
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.166g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.497g/mol
Monoisotopic Mass:
339.166g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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