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21091-90-7 | Methanone, (4-methoxyphenyl)(4-phenyl-1-piperazinyl)-
CAS No: 21091-90-7 Catalog No: AG002L22 MDL No:
Product Description
Catalog Number:
AG002L22
Chemical Name:
Methanone, (4-methoxyphenyl)(4-phenyl-1-piperazinyl)-
CAS Number:
21091-90-7
Molecular Formula:
C18H20N2O2
Molecular Weight:
296.3636
IUPAC Name:
(4-methoxyphenyl)-(4-phenylpiperazin-1-yl)methanone
InChI:
InChI=1S/C18H20N2O2/c1-22-17-9-7-15(8-10-17)18(21)20-13-11-19(12-14-20)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChI Key:
GDCTVWOWUWCETC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)N1CCN(CC1)c1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.37g/mol
Monoisotopic Mass:
296.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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