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(2E)-3-(3,4-dimethoxyphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one

(2E)-3-(3,4-dimethoxyphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one

Formula: C21H23FN2O3

SMILES: COC1=CC=C(C=CC(=O)N2CCN(CC2)C2=CC=CC=C2F)C=C1OC

IUPAC: (2E)-3-(3,4-dimethoxyphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one

InChI: InChI=1S/C21H23FN2O3/c1-26-19-9-7-16(15-20(19)27-2)8-10-21(25)24-13-11-23(12-14-24)18-6-4-3-5-17(18)22/h3-10,15H,11-14H2,1-2H3/b10-8+

Composition: C (68.09%), H (6.26%), F (5.13%), N (7.56%), O (12.96%)

Molar Mass: 370.424

Atom Count: 50

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 370.169270772
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey QZMGBWLBHPLWAD-CSKARUKUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.37
Topological Polar Surface Area 42.01
Polarizability 38.89
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H23FN2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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