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3-(benzyloxy)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-(4-fluorophenyl)-3-phenylpropanoic acid

3-(benzyloxy)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-(4-fluorophenyl)-3-phenylpropanoic acid

Formula: C28H25FN2O4

SMILES: CC1=CC(C)=NC(OC(C(O)=O)C(OCC2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=C(F)C=C2)=N1

IUPAC: 3-(benzyloxy)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-(4-fluorophenyl)-3-phenylpropanoic acid

InChI: InChI=1/C28H25FN2O4/c1-19-17-20(2)31-27(30-19)35-25(26(32)33)28(22-11-7-4-8-12-22,23-13-15-24(29)16-14-23)34-18-21-9-5-3-6-10-21/h3-17,25H,18H2,1-2H3,(H,32,33)

Composition: C (71.17%), H (5.33%), F (4.02%), N (5.93%), O (13.54%)

Molar Mass: 472.516

Atom Count: 60

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 2
Exact Mass 472.179835456
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey DVSLBDAAWVEUTF-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 129
Topological Polar Surface Area 81.54
Polarizability 49.75
Ring Count 4
Rotatable Bond Count 9

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H25FN2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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