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N-{[(benzyloxy)imino]methyl}-2-(4-fluorophenoxy)-4-methoxypyridine-3-carboxamide

N-{[(benzyloxy)imino]methyl}-2-(4-fluorophenoxy)-4-methoxypyridine-3-carboxamide

CAS: 341966-66-3

Formula: C21H18FN3O4

SMILES: COC1=C(C(=O)NC=NOCC2=CC=CC=C2)C(OC2=CC=C(F)C=C2)=NC=C1

IUPAC: N-{[(benzyloxy)imino]methyl}-2-(4-fluorophenoxy)-4-methoxypyridine-3-carboxamide

InChI: InChI=1S/C21H18FN3O4/c1-27-18-11-12-23-21(29-17-9-7-16(22)8-10-17)19(18)20(26)24-14-25-28-13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,24,25,26)

Composition: C (63.79%), H (4.59%), F (4.80%), N (10.63%), O (16.19%)

Molar Mass: 395.39

Atom Count: 47

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 395.128134235
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey RGAJAJULLRGZPL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.21
Topological Polar Surface Area 82.04
Polarizability 39.51
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 341966-66-3 $51.35-$86.31$51.35$63.37$86.31
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