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

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

Formula: C26H19FN2O6S

SMILES: OC(=O)C1=CC(COC2=CC=C(C=C3SC(=O)N(CC(=O)NC4=CC=CC=C4F)C3=O)C=C2)=CC=C1

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

InChI: InChI=1S/C26H19FN2O6S/c27-20-6-1-2-7-21(20)28-23(30)14-29-24(31)22(36-26(29)34)13-16-8-10-19(11-9-16)35-15-17-4-3-5-18(12-17)25(32)33/h1-13H,14-15H2,(H,28,30)(H,32,33)/b22-13+

Composition: C (61.66%), H (3.78%), F (3.75%), N (5.53%), O (18.95%), S (6.33%)

Molar Mass: 506.5

Atom Count: 55

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	506.094785677
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	SRMNPXPUUDGYSX-LPYMAVHISA-N
Lipinski's Rule of Five
Molar Refractivity	134.03
Topological Polar Surface Area	113.01
Polarizability	49.76
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H19FN2O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00