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2-{[1,1'-biphenyl]-4-yloxy}-1-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}ethanone

2-{[1,1'-biphenyl]-4-yloxy}-1-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}ethanone

Formula: C25H25FN2O2

SMILES: FC1=CC=CC=C1CN1CCN(CC1)C(=O)COC1=CC=C(C=C1)C1=CC=CC=C1

IUPAC: 2-{[1,1'-biphenyl]-4-yloxy}-1-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}ethan-1-one

InChI: InChI=1S/C25H25FN2O2/c26-24-9-5-4-8-22(24)18-27-14-16-28(17-15-27)25(29)19-30-23-12-10-21(11-13-23)20-6-2-1-3-7-20/h1-13H,14-19H2

Composition: C (74.24%), H (6.23%), F (4.70%), N (6.93%), O (7.91%)

Molar Mass: 404.485

Atom Count: 55

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 404.190006216
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey AZZBMTYJMXSCIU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 116.24
Topological Polar Surface Area 32.78
Polarizability 46.1
Ring Count 4
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H25FN2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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