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146561-59-3 | 2-Propanone, 1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(phenylmethyl)-1-piperazinyl]-
CAS No: 146561-59-3 Catalog No: AG001E4U MDL No:
Product Description
Catalog Number:
AG001E4U
Chemical Name:
2-Propanone, 1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(phenylmethyl)-1-piperazinyl]-
CAS Number:
146561-59-3
Molecular Formula:
C24H30N2O2
Molecular Weight:
378.5072
IUPAC Name:
3-(4-benzylpiperazin-1-yl)-1-cyclobutyl-1-hydroxy-1-phenylpropan-2-one
InChI:
InChI=1S/C24H30N2O2/c27-23(24(28,22-12-7-13-22)21-10-5-2-6-11-21)19-26-16-14-25(15-17-26)18-20-8-3-1-4-9-20/h1-6,8-11,22,28H,7,12-19H2
InChI Key:
YTZUOZVKZMXBOP-UHFFFAOYSA-N
SMILES:
O=C(C(c1ccccc1)(C1CCC1)O)CN1CCN(CC1)Cc1ccccc1
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.231g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.516g/mol
Monoisotopic Mass:
378.231g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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