3-(5-{[(2E,5E)-2-[(3,4-dimethylphenyl)imino]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

3-(5-{[(2E,5E)-2-[(3,4-dimethylphenyl)imino]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

Formula: C25H22N2O4S

SMILES: CCN1C(=O)C(SC1=NC1=CC=C(C)C(C)=C1)=C/C1=CC=C(O1)C1=CC=CC(=C1)C(O)=O

IUPAC: 3-(5-{[(2E,5E)-2-[(3,4-dimethylphenyl)imino]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

InChI: InChI=1S/C25H22N2O4S/c1-4-27-23(28)22(32-25(27)26-19-9-8-15(2)16(3)12-19)14-20-10-11-21(31-20)17-6-5-7-18(13-17)24(29)30/h5-14H,4H2,1-3H3,(H,29,30)/b22-14+,26-25+

Composition: C (67.25%), H (4.97%), N (6.27%), O (14.33%), S (7.18%)

Molar Mass: 446.52

Atom Count: 54

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	446.13002837
Formal Charge	0
FSP3	0.16
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OVQFSPIYGSAIGZ-GNPNYKALSA-N
Lipinski's Rule of Five
Molar Refractivity	129.36
Topological Polar Surface Area	83.11
Polarizability	48.68
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H22N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00