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1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine

1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine

Formula: C20H25BrN2O2

SMILES: COC1=CC=C(CN2CCN(CC3=CC=C(OC)C(Br)=C3)CC2)C=C1

IUPAC: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine

InChI: InChI=1S/C20H25BrN2O2/c1-24-18-6-3-16(4-7-18)14-22-9-11-23(12-10-22)15-17-5-8-20(25-2)19(21)13-17/h3-8,13H,9-12,14-15H2,1-2H3

Composition: C (59.26%), H (6.22%), Br (19.71%), N (6.91%), O (7.89%)

Molar Mass: 405.336

Atom Count: 50

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 404.109941
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey QYOACEUGMLEJDD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.81
Topological Polar Surface Area 24.94
Polarizability 41.01
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H25BrN2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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