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4-(4-{[(5E)-1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxymethyl)benzoic acid

4-(4-{[(5E)-1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxymethyl)benzoic acid

Formula: C26H19FN2O7

SMILES: COC1=CC(C=C2/C(=O)NC(=O)N(C2=O)C2=CC=CC(F)=C2)=CC=C1OCC1=CC=C(C=C1)C(O)=O

IUPAC: 4-[(4-{[(5E)-1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

InChI: InChI=1S/C26H19FN2O7/c1-35-22-12-16(7-10-21(22)36-14-15-5-8-17(9-6-15)25(32)33)11-20-23(30)28-26(34)29(24(20)31)19-4-2-3-18(27)13-19/h2-13H,14H2,1H3,(H,32,33)(H,28,30,34)/b20-11+

Composition: C (63.67%), H (3.91%), F (3.87%), N (5.71%), O (22.84%)

Molar Mass: 490.443

Atom Count: 55

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 490.117629123
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey PKQKELHNWBQZMZ-RGVLZGJSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 125.81
Topological Polar Surface Area 122.24
Polarizability 47.35
Ring Count 4
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H19FN2O7 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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