4-{5-[(E)-[(4-acetamidophenyl)imino]methyl]furan-2-yl}-3-methylbenzoic acid

4-{5-[(E)-[(4-acetamidophenyl)imino]methyl]furan-2-yl}-3-methylbenzoic acid

Formula: C21H18N2O4

SMILES: CC(=O)NC1=CC=C(C=C1)N=CC1=CC=C(O1)C1=CC=C(C=C1C)C(O)=O

IUPAC: 4-{5-[(E)-[(4-acetamidophenyl)imino]methyl]furan-2-yl}-3-methylbenzoic acid

InChI: InChI=1S/C21H18N2O4/c1-13-11-15(21(25)26)3-9-19(13)20-10-8-18(27-20)12-22-16-4-6-17(7-5-16)23-14(2)24/h3-12H,1-2H3,(H,23,24)(H,25,26)/b22-12+

Composition: C (69.60%), H (5.01%), N (7.73%), O (17.66%)

Molar Mass: 362.385

Atom Count: 45

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	362.126657068
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CFQDIMHLONWMKQ-WSDLNYQXSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.95
Topological Polar Surface Area	91.9
Polarizability	39.25
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H18N2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00