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4-[(4-fluorophenyl)methyl]-6,18-dioxa-4-azatetracyclo[8.8.0.0²,?.0¹¹,¹?]octadeca-1,7,9,11(16)-tetraen-17-one

4-[(4-fluorophenyl)methyl]-6,18-dioxa-4-azatetracyclo[8.8.0.0²,?.0¹¹,¹?]octadeca-1,7,9,11(16)-tetraen-17-one

Formula: C22H20FNO3

SMILES: FC1=CC=C(CN2COC3=CC=C4C5=C(CCCC5)C(=O)OC4=C3C2)C=C1

IUPAC: 4-[(4-fluorophenyl)methyl]-6,18-dioxa-4-azatetracyclo[8.8.0.0²,?.0¹¹,¹?]octadeca-1,7,9,11(16)-tetraen-17-one

InChI: InChI=1S/C22H20FNO3/c23-15-7-5-14(6-8-15)11-24-12-19-20(26-13-24)10-9-17-16-3-1-2-4-18(16)22(25)27-21(17)19/h5-10H,1-4,11-13H2

Composition: C (72.31%), H (5.52%), F (5.20%), N (3.83%), O (13.14%)

Molar Mass: 365.404

Atom Count: 47

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 365.142721671
Formal Charge 0
FSP3 0.32
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KMUBNSNPVKKWBE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.26
Topological Polar Surface Area 38.77
Polarizability 38.5
Ring Count 5
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H20FNO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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