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3-{4-[(E)-[(1-benzofuran-2-ylformamido)imino]methyl]phenoxymethyl}benzoic acid

3-{4-[(E)-[(1-benzofuran-2-ylformamido)imino]methyl]phenoxymethyl}benzoic acid

Formula: C24H18N2O5

SMILES: OC(=O)C1=CC(COC2=CC=C(C=NNC(=O)C3=CC4=CC=CC=C4O3)C=C2)=CC=C1

IUPAC: 3-({4-[(E)-{[(1-benzofuran-2-yl)formamido]imino}methyl]phenoxy}methyl)benzoic acid

InChI: InChI=1S/C24H18N2O5/c27-23(22-13-18-5-1-2-7-21(18)31-22)26-25-14-16-8-10-20(11-9-16)30-15-17-4-3-6-19(12-17)24(28)29/h1-14H,15H2,(H,26,27)(H,28,29)/b25-14+

Composition: C (69.56%), H (4.38%), N (6.76%), O (19.30%)

Molar Mass: 414.417

Atom Count: 49

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 414.121571688
Formal Charge 0
FSP3 0.04
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey BCNXYYVLKCOPNB-AFUMVMLFSA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.29
Topological Polar Surface Area 101.13
Polarizability 44.13
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 C24H18N2O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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