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

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

Formula: C25H18N2O8S

SMILES: CC1=C(C=CC=C1C1=CC=C(O1)C=C1SC(=O)N(CC(=O)NC2=CC=C3OCOC3=C2)C1=O)C(O)=O

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

InChI: InChI=1S/C25H18N2O8S/c1-13-16(3-2-4-17(13)24(30)31)18-8-6-15(35-18)10-21-23(29)27(25(32)36-21)11-22(28)26-14-5-7-19-20(9-14)34-12-33-19/h2-10H,11-12H2,1H3,(H,26,28)(H,30,31)/b21-10+

Composition: C (59.29%), H (3.58%), N (5.53%), O (25.27%), S (6.33%)

Molar Mass: 506.49

Atom Count: 54

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	506.078386722
Formal Charge	0
FSP3	0.12
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	FIWPCYWFRBHSDE-UFFVCSGVSA-N
Lipinski's Rule of Five
Molar Refractivity	130.95
Topological Polar Surface Area	135.38
Polarizability	50.04
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H18N2O8S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00