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

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

Formula: C20H25BrN2O

SMILES: COC1=CC=C(CN2CCN(CC3=CC=CC(C)=C3)CC2)C=C1Br

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

InChI: InChI=1S/C20H25BrN2O/c1-16-4-3-5-17(12-16)14-22-8-10-23(11-9-22)15-18-6-7-20(24-2)19(21)13-18/h3-7,12-13H,8-11,14-15H2,1-2H3

Composition: C (61.70%), H (6.47%), Br (20.52%), N (7.20%), O (4.11%)

Molar Mass: 389.337

Atom Count: 49

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 388.115026
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey FLKYUBOFYBGLSZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.39
Topological Polar Surface Area 15.71
Polarizability 40.24
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H25BrN2O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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