4-{[(2E,5Z)-5-{[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]methylidene}-4-oxo-2-(phenylimino)-1,3-thiazolidin-3-yl]methyl}benzoic acid

4-{[(2E,5Z)-5-{[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]methylidene}-4-oxo-2-(phenylimino)-1,3-thiazolidin-3-yl]methyl}benzoic acid

Formula: C29H25BrN2O7S

SMILES: CCOC(=O)COC1=CC(Br)=C(C=C2/SC(=NC3=CC=CC=C3)N(CC3=CC=C(C=C3)C(O)=O)C2=O)C=C1OC

IUPAC: 4-{[(2E,5Z)-5-{[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]methylidene}-4-oxo-2-(phenylimino)-1,3-thiazolidin-3-yl]methyl}benzoic acid

InChI: InChI=1S/C29H25BrN2O7S/c1-3-38-26(33)17-39-24-15-22(30)20(13-23(24)37-2)14-25-27(34)32(16-18-9-11-19(12-10-18)28(35)36)29(40-25)31-21-7-5-4-6-8-21/h4-15H,3,16-17H2,1-2H3,(H,35,36)/b25-14-,31-29+

Composition: C (55.69%), H (4.03%), Br (12.77%), N (4.48%), O (17.90%), S (5.13%)

Molar Mass: 625.49

Atom Count: 65

Heavy Atom Count: 40

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	624.056585
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	LVIKAKLWBXRNCU-IZDTYNSGSA-N
Lipinski's Rule of Five
Molar Refractivity	157.88
Topological Polar Surface Area	114.73
Polarizability	59.24
Ring Count	4
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H25BrN2O7S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00