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1-[(2-bromophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

1-[(2-bromophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

Formula: C21H27BrN2O3

SMILES: COC1=C(OC)C(OC)=C(CN2CCN(CC3=CC=CC=C3Br)CC2)C=C1

IUPAC: 1-[(2-bromophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

InChI: InChI=1S/C21H27BrN2O3/c1-25-19-9-8-17(20(26-2)21(19)27-3)15-24-12-10-23(11-13-24)14-16-6-4-5-7-18(16)22/h4-9H,10-15H2,1-3H3

Composition: C (57.94%), H (6.25%), Br (18.35%), N (6.43%), O (11.02%)

Molar Mass: 435.362

Atom Count: 54

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 434.120506
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey QPKGESYHVAWZDM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 112.28
Topological Polar Surface Area 34.17
Polarizability 43.55
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H27BrN2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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