2-(2-bromo-6-ethoxy-4-{[(2E,5Z)-3-methyl-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetamide

2-(2-bromo-6-ethoxy-4-{[(2E,5Z)-3-methyl-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetamide

Formula: C22H22BrN3O4S

SMILES: CCOC1=CC(C=C2/SC(=NC3=CC=C(C)C=C3)N(C)C2=O)=CC(Br)=C1OCC(N)=O

IUPAC: 2-(2-bromo-6-ethoxy-4-{[(2E,5Z)-3-methyl-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetamide

InChI: InChI=1S/C22H22BrN3O4S/c1-4-29-17-10-14(9-16(23)20(17)30-12-19(24)27)11-18-21(28)26(3)22(31-18)25-15-7-5-13(2)6-8-15/h5-11H,4,12H2,1-3H3,(H2,24,27)/b18-11-,25-22+

Composition: C (52.39%), H (4.40%), Br (15.84%), N (8.33%), O (12.69%), S (6.36%)

Molar Mass: 504.4

Atom Count: 53

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	503.05144
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CWZMEDCYYSOLIC-LEGQPGDASA-N
Lipinski's Rule of Five
Molar Refractivity	128.11
Topological Polar Surface Area	94.22
Polarizability	47.67
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H22BrN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00