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

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

Formula: C21H25FN2O4

SMILES: COC1=CC(CN2CCN(CC2)C(=O)C2=CC=C(F)C=C2)=CC(OC)=C1OC

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

InChI: InChI=1S/C21H25FN2O4/c1-26-18-12-15(13-19(27-2)20(18)28-3)14-23-8-10-24(11-9-23)21(25)16-4-6-17(22)7-5-16/h4-7,12-13H,8-11,14H2,1-3H3

Composition: C (64.93%), H (6.49%), F (4.89%), N (7.21%), O (16.48%)

Molar Mass: 388.439

Atom Count: 53

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 388.179835456
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey CZIZKLRHFAKXRX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.2
Topological Polar Surface Area 51.24
Polarizability 40
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H25FN2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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