methyl 2-[(5E)-5-({5-bromo-2-[(3-methylphenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

methyl 2-[(5E)-5-({5-bromo-2-[(3-methylphenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Formula: C21H18BrNO5S

SMILES: COC(=O)CN1C(=O)SC(=CC2=CC(Br)=CC=C2OCC2=CC=CC(C)=C2)C1=O

IUPAC: methyl 2-[(5E)-5-({5-bromo-2-[(3-methylphenyl)methoxy]phenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

InChI: InChI=1S/C21H18BrNO5S/c1-13-4-3-5-14(8-13)12-28-17-7-6-16(22)9-15(17)10-18-20(25)23(21(26)29-18)11-19(24)27-2/h3-10H,11-12H2,1-2H3/b18-10+

Composition: C (52.95%), H (3.81%), Br (16.77%), N (2.94%), O (16.79%), S (6.73%)

Molar Mass: 476.34

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	475.008907
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	CUERGYXJOFOOKT-VCHYOVAHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.71
Topological Polar Surface Area	72.91
Polarizability	44.11
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H18BrNO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00