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

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

Formula: C20H18N2O5S

SMILES: COC1=CC=C(C=C1)N=C1NC(=O)C(S1)=C/C1=CC=C(OC(C)C(O)=O)C=C1

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

InChI: InChI=1/C20H18N2O5S/c1-12(19(24)25)27-16-7-3-13(4-8-16)11-17-18(23)22-20(28-17)21-14-5-9-15(26-2)10-6-14/h3-12H,1-2H3,(H,24,25)(H,21,22,23)/b17-11+

Composition: C (60.29%), H (4.55%), N (7.03%), O (20.08%), S (8.05%)

Molar Mass: 398.43

Atom Count: 46

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	398.093642862
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	HBCBESGIZJPHKH-GZTJUZNONA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.47
Topological Polar Surface Area	97.22
Polarizability	40.59
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00