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1-(3,5-dimethoxybenzoyl)-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine

1-(3,5-dimethoxybenzoyl)-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine

Formula: C21H23F3N2O3

SMILES: COC1=CC(=CC(OC)=C1)C(=O)N1CCN(CC2=CC=C(C=C2)C(F)(F)F)CC1

IUPAC: 1-(3,5-dimethoxybenzoyl)-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine

InChI: InChI=1S/C21H23F3N2O3/c1-28-18-11-16(12-19(13-18)29-2)20(27)26-9-7-25(8-10-26)14-15-3-5-17(6-4-15)21(22,23)24/h3-6,11-13H,7-10,14H2,1-2H3

Composition: C (61.76%), H (5.68%), F (13.96%), N (6.86%), O (11.75%)

Molar Mass: 408.421

Atom Count: 52

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 408.166077098
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ZGMQTMDJMLCSGY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.49
Topological Polar Surface Area 42.01
Polarizability 38.85
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H23F3N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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