4-{4-[(E)-[(furan-2-ylformamido)imino]methyl]-2-methoxyphenoxymethyl}benzoic acid

4-{4-[(E)-[(furan-2-ylformamido)imino]methyl]-2-methoxyphenoxymethyl}benzoic acid

Formula: C21H18N2O6

SMILES: COC1=CC(C=NNC(=O)C2=CC=CO2)=CC=C1OCC1=CC=C(C=C1)C(O)=O

IUPAC: 4-({4-[(E)-{[(furan-2-yl)formamido]imino}methyl]-2-methoxyphenoxy}methyl)benzoic acid

InChI: InChI=1S/C21H18N2O6/c1-27-19-11-15(12-22-23-20(24)18-3-2-10-28-18)6-9-17(19)29-13-14-4-7-16(8-5-14)21(25)26/h2-12H,13H2,1H3,(H,23,24)(H,25,26)/b22-12+

Composition: C (63.96%), H (4.60%), N (7.10%), O (24.34%)

Molar Mass: 394.383

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	394.116486308
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	ZVLFNHLHOUFSBW-WSDLNYQXSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.42
Topological Polar Surface Area	110.36
Polarizability	39.2
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H18N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00