3-(5-{[(2E,5E)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid

3-(5-{[(2E,5E)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid

Formula: C25H22N2O5S

SMILES: COCCN1C(=O)C(SC1=NC1=CC=CC=C1)=C/C1=CC=C(O1)C1=CC=CC(C(O)=O)=C1C

IUPAC: 3-(5-{[(2E,5E)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid

InChI: InChI=1S/C25H22N2O5S/c1-16-19(9-6-10-20(16)24(29)30)21-12-11-18(32-21)15-22-23(28)27(13-14-31-2)25(33-22)26-17-7-4-3-5-8-17/h3-12,15H,13-14H2,1-2H3,(H,29,30)/b22-15+,26-25+

Composition: C (64.92%), H (4.79%), N (6.06%), O (17.30%), S (6.93%)

Molar Mass: 462.52

Atom Count: 55

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	462.12494299
Formal Charge	0
FSP3	0.16
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	XWTCUJLIEBUITR-ZBNITPKASA-N
Lipinski's Rule of Five	1
Molar Refractivity	130.61
Topological Polar Surface Area	92.34
Polarizability	49.45
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H22N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00