2-(2-bromo-4-{[(2E,5E)-2-[(2,3-dichlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxymethyl)benzonitrile

2-(2-bromo-4-{[(2E,5E)-2-[(2,3-dichlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxymethyl)benzonitrile

Formula: C24H14BrCl2N3O2S

SMILES: ClC1=C(Cl)C(=CC=C1)N=C1/NC(=O)C(S1)=C/C1=CC=C(OCC2=CC=CC=C2C#N)C(Br)=C1

IUPAC: 2-[(2-bromo-4-{[(2E,5E)-2-[(2,3-dichlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile

InChI: InChI=1S/C24H14BrCl2N3O2S/c25-17-10-14(8-9-20(17)32-13-16-5-2-1-4-15(16)12-28)11-21-23(31)30-24(33-21)29-19-7-3-6-18(26)22(19)27/h1-11H,13H2,(H,29,30,31)/b21-11+

Composition: C (51.54%), H (2.52%), Br (14.29%), Cl (12.68%), N (7.51%), O (5.72%), S (5.73%)

Molar Mass: 559.26

Atom Count: 47

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	556.936716
Formal Charge	0
FSP3	0.04
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IWACFBNFVOQVJN-SRZZPIQSSA-N
Lipinski's Rule of Five
Molar Refractivity	139
Topological Polar Surface Area	74.48
Polarizability	51.86
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H14BrCl2N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00