4-{[(2E,5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-(phenylimino)-1,3-thiazolidin-3-yl]methyl}benzoic acid

4-{[(2E,5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-(phenylimino)-1,3-thiazolidin-3-yl]methyl}benzoic acid

Formula: C25H20N2O4S

SMILES: COC1=CC=C(C=C2SC(=NC3=CC=CC=C3)N(CC3=CC=C(C=C3)C(O)=O)C2=O)C=C1

IUPAC: 4-{[(2E,5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-(phenylimino)-1,3-thiazolidin-3-yl]methyl}benzoic acid

InChI: InChI=1S/C25H20N2O4S/c1-31-21-13-9-17(10-14-21)15-22-23(28)27(16-18-7-11-19(12-8-18)24(29)30)25(32-22)26-20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H,29,30)/b22-15+,26-25+

Composition: C (67.55%), H (4.54%), N (6.30%), O (14.40%), S (7.21%)

Molar Mass: 444.51

Atom Count: 52

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	444.114378306
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	LSXATXKKAPZBLS-ZBNITPKASA-N
Lipinski's Rule of Five
Molar Refractivity	128.2
Topological Polar Surface Area	79.2
Polarizability	47.6
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H20N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00