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1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine

1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine

Formula: C20H25N3O4

SMILES: COC1=CC=C(CN2CCN(CC3=CC=CC=C3[N+]([O-])=O)CC2)C(OC)=C1

IUPAC: 1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine

InChI: InChI=1S/C20H25N3O4/c1-26-18-8-7-17(20(13-18)27-2)15-22-11-9-21(10-12-22)14-16-5-3-4-6-19(16)23(24)25/h3-8,13H,9-12,14-15H2,1-2H3

Composition: C (64.67%), H (6.78%), N (11.31%), O (17.23%)

Molar Mass: 371.437

Atom Count: 52

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 371.184506297
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey DVCVRIKNRDSFIS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.51
Topological Polar Surface Area 68.08
Polarizability 40.18
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H25N3O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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