4-methyl-3-(5-{[(5E)-3-{[(4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

4-methyl-3-(5-{[(5E)-3-{[(4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

Formula: C25H20N2O6S

SMILES: CC1=CC=C(NC(=O)CN2C(=O)SC(=CC3=CC=C(O3)C3=CC(=CC=C3C)C(O)=O)C2=O)C=C1

IUPAC: 4-methyl-3-(5-{[(5E)-3-{[(4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

InChI: InChI=1S/C25H20N2O6S/c1-14-3-7-17(8-4-14)26-22(28)13-27-23(29)21(34-25(27)32)12-18-9-10-20(33-18)19-11-16(24(30)31)6-5-15(19)2/h3-12H,13H2,1-2H3,(H,26,28)(H,30,31)/b21-12+

Composition: C (63.02%), H (4.23%), N (5.88%), O (20.15%), S (6.73%)

Molar Mass: 476.5

Atom Count: 54

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	476.104207546
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	DJLYAVHOIIDIDW-CIAFOILYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	130.22
Topological Polar Surface Area	116.92
Polarizability	49.28
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H20N2O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00