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1-[(3-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

1-[(3-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

Formula: C21H27N3O5

SMILES: COC1=CC(CN2CCN(CC3=CC=CC(=C3)[N+]([O-])=O)CC2)=CC(OC)=C1OC

IUPAC: 1-[(3-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

InChI: InChI=1S/C21H27N3O5/c1-27-19-12-17(13-20(28-2)21(19)29-3)15-23-9-7-22(8-10-23)14-16-5-4-6-18(11-16)24(25)26/h4-6,11-13H,7-10,14-15H2,1-3H3

Composition: C (62.83%), H (6.78%), N (10.47%), O (19.93%)

Molar Mass: 401.463

Atom Count: 56

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 401.195070981
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 0
InChIKey XWGAPSJYZPUOBD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.97
Topological Polar Surface Area 77.31
Polarizability 42.71
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H27N3O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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