2-(4-{[(2E,5Z)-2-[(3-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)propanoic acid

2-(4-{[(2E,5Z)-2-[(3-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)propanoic acid

Formula: C20H18N2O4S

SMILES: CC(OC1=CC=C(C=C2/SC(NC2=O)=NC2=CC=CC(C)=C2)C=C1)C(O)=O

IUPAC: 2-(4-{[(2E,5Z)-2-[(3-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)propanoic acid

InChI: InChI=1/C20H18N2O4S/c1-12-4-3-5-15(10-12)21-20-22-18(23)17(27-20)11-14-6-8-16(9-7-14)26-13(2)19(24)25/h3-11,13H,1-2H3,(H,24,25)(H,21,22,23)/b17-11-

Composition: C (62.81%), H (4.74%), N (7.33%), O (16.73%), S (8.38%)

Molar Mass: 382.43

Atom Count: 45

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	382.098728242
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	ABAPENOOLUFBBJ-BOPFTXTBNA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.05
Topological Polar Surface Area	87.99
Polarizability	39.81
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00