2-(2-methoxy-4-{[(5E)-3-{[(3-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)propanoic acid

2-(2-methoxy-4-{[(5E)-3-{[(3-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)propanoic acid

Formula: C23H22N2O7S

SMILES: COC1=CC(C=C2SC(=O)N(CC(=O)NC3=CC=CC(C)=C3)C2=O)=CC=C1OC(C)C(O)=O

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

InChI: InChI=1/C23H22N2O7S/c1-13-5-4-6-16(9-13)24-20(26)12-25-21(27)19(33-23(25)30)11-15-7-8-17(18(10-15)31-3)32-14(2)22(28)29/h4-11,14H,12H2,1-3H3,(H,24,26)(H,28,29)/b19-11+

Composition: C (58.72%), H (4.71%), N (5.95%), O (23.80%), S (6.81%)

Molar Mass: 470.5

Atom Count: 55

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	470.11477223
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	IOMQXOKVXRECFX-YBFXNURJNA-N
Lipinski's Rule of Five	1
Molar Refractivity	124.03
Topological Polar Surface Area	122.24
Polarizability	46.67
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H22N2O7S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00