ethyl 2-{4-[(E)-{[(4-cyano-2-fluorophenyl)formamido]imino}methyl]-2-methoxyphenoxy}acetate

ethyl 2-{4-[(E)-{[(4-cyano-2-fluorophenyl)formamido]imino}methyl]-2-methoxyphenoxy}acetate

Formula: C20H18FN3O5

SMILES: CCOC(=O)COC1=CC=C(C=NNC(=O)C2=CC=C(C=C2F)C#N)C=C1OC

IUPAC: ethyl 2-{4-[(E)-{[(4-cyano-2-fluorophenyl)formamido]imino}methyl]-2-methoxyphenoxy}acetate

InChI: InChI=1S/C20H18FN3O5/c1-3-28-19(25)12-29-17-7-5-14(9-18(17)27-2)11-23-24-20(26)15-6-4-13(10-22)8-16(15)21/h4-9,11H,3,12H2,1-2H3,(H,24,26)/b23-11+

Composition: C (60.15%), H (4.54%), F (4.76%), N (10.52%), O (20.03%)

Molar Mass: 399.378

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	399.123048855
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	DANALGBUYORFRX-FOKLQQMPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.7
Topological Polar Surface Area	110.01
Polarizability	38.25
Ring Count	2
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18FN3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00