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N-{2-methoxy-4-[5-(4-nitrophenyl)furan-2-amido]phenyl}-1-benzofuran-2-carboxamide

N-{2-methoxy-4-[5-(4-nitrophenyl)furan-2-amido]phenyl}-1-benzofuran-2-carboxamide

Formula: C27H19N3O7

SMILES: COC1=CC(NC(=O)C2=CC=C(O2)C2=CC=C(C=C2)[N+]([O-])=O)=CC=C1NC(=O)C1=CC2=CC=CC=C2O1

IUPAC: N-{2-methoxy-4-[5-(4-nitrophenyl)furan-2-amido]phenyl}-1-benzofuran-2-carboxamide

InChI: InChI=1S/C27H19N3O7/c1-35-24-15-18(8-11-20(24)29-27(32)25-14-17-4-2-3-5-21(17)37-25)28-26(31)23-13-12-22(36-23)16-6-9-19(10-7-16)30(33)34/h2-15H,1H3,(H,28,31)(H,29,32)

Composition: C (65.19%), H (3.85%), N (8.45%), O (22.51%)

Molar Mass: 497.463

Atom Count: 56

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 497.122299964
Formal Charge 0
FSP3 0.04
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey RRTFKESPNLNOJE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 136.03
Topological Polar Surface Area 136.85
Polarizability 52.14
Ring Count 5
Rotatable Bond Count 7

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H19N3O7 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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