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1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2,6-dimethoxybenzoyl)piperazine

1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2,6-dimethoxybenzoyl)piperazine

Formula: C21H25BrN2O4

SMILES: COC1=CC=C(Br)C=C1CN1CCN(CC1)C(=O)C1=C(OC)C=CC=C1OC

IUPAC: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2,6-dimethoxybenzoyl)piperazine

InChI: InChI=1S/C21H25BrN2O4/c1-26-17-8-7-16(22)13-15(17)14-23-9-11-24(12-10-23)21(25)20-18(27-2)5-4-6-19(20)28-3/h4-8,13H,9-12,14H2,1-3H3

Composition: C (56.13%), H (5.61%), Br (17.78%), N (6.23%), O (14.24%)

Molar Mass: 449.345

Atom Count: 53

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 448.09977
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey NGGGQLRNKXUZIW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 112.6
Topological Polar Surface Area 51.24
Polarizability 43.09
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H25BrN2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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