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1-(3,4-dimethoxybenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine

1-(3,4-dimethoxybenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine

Formula: C20H21F3N2O3

SMILES: COC1=CC=C(C=C1OC)C(=O)N1CCN(CC1)C1=CC=CC(=C1)C(F)(F)F

IUPAC: 1-(3,4-dimethoxybenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine

InChI: InChI=1S/C20H21F3N2O3/c1-27-17-7-6-14(12-18(17)28-2)19(26)25-10-8-24(9-11-25)16-5-3-4-15(13-16)20(21,22)23/h3-7,12-13H,8-11H2,1-2H3

Composition: C (60.91%), H (5.37%), F (14.45%), N (7.10%), O (12.17%)

Molar Mass: 394.394

Atom Count: 49

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 394.150427033
Formal Charge 0
FSP3 0.35
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey YOHMNNCBSLTBLA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.38
Topological Polar Surface Area 42.01
Polarizability 36.67
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H21F3N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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