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141882-31-7 | 1-Propanone, 3,3'-(1,4-piperazinediyl)bis[1-(4-methylphenyl)-2-phenyl-
CAS No: 141882-31-7 Catalog No: AG001HAR MDL No:
Product Description
Catalog Number:
AG001HAR
Chemical Name:
1-Propanone, 3,3'-(1,4-piperazinediyl)bis[1-(4-methylphenyl)-2-phenyl-
CAS Number:
141882-31-7
Molecular Formula:
C36H38N2O2
Molecular Weight:
530.6991
IUPAC Name:
1-(4-methylphenyl)-3-[4-[3-(4-methylphenyl)-3-oxo-2-phenylpropyl]piperazin-1-yl]-2-phenylpropan-1-one
InChI:
InChI=1S/C36H38N2O2/c1-27-13-17-31(18-14-27)35(39)33(29-9-5-3-6-10-29)25-37-21-23-38(24-22-37)26-34(30-11-7-4-8-12-30)36(40)32-19-15-28(2)16-20-32/h3-20,33-34H,21-26H2,1-2H3
InChI Key:
CKTPIFUXQVMMGP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)C(c1ccccc1)CN1CCN(CC1)CC(C(=O)c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
711
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.293g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
530.712g/mol
Monoisotopic Mass:
530.293g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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