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(2Z)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-2-[(3-nitrophenyl)formamido]prop-2-enamide

(2Z)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-2-[(3-nitrophenyl)formamido]prop-2-enamide

Formula: C22H19N3O6

SMILES: COC1=CC=C(C=C(/NC(=O)C2=CC=CC(=C2)[N+]([O-])=O)C(=O)NCC2=CC=CO2)C=C1

IUPAC: (2Z)-N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-2-[(3-nitrophenyl)formamido]prop-2-enamide

InChI: InChI=1S/C22H19N3O6/c1-30-18-9-7-15(8-10-18)12-20(22(27)23-14-19-6-3-11-31-19)24-21(26)16-4-2-5-17(13-16)25(28)29/h2-13H,14H2,1H3,(H,23,27)(H,24,26)/b20-12-

Composition: C (62.70%), H (4.54%), N (9.97%), O (22.78%)

Molar Mass: 421.409

Atom Count: 50

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 421.127385344
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey JPOSZFIICWZAQP-NDENLUEZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 113.31
Topological Polar Surface Area 123.71
Polarizability 41.98
Ring Count 3
Rotatable Bond Count 8

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H19N3O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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