(4E)-4-({3-bromo-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene)-1-phenylpyrazolidine-3,5-dione

(4E)-4-({3-bromo-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene)-1-phenylpyrazolidine-3,5-dione

Formula: C28H27BrN2O5

SMILES: CCOC1=CC(C=C2/C(=O)NN(C2=O)C2=CC=CC=C2)=CC(Br)=C1OCCOC1=CC(C)=CC(C)=C1

IUPAC: (4E)-4-({3-bromo-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene)-1-phenylpyrazolidine-3,5-dione

InChI: InChI=1S/C28H27BrN2O5/c1-4-34-25-17-20(15-23-27(32)30-31(28(23)33)21-8-6-5-7-9-21)16-24(29)26(25)36-11-10-35-22-13-18(2)12-19(3)14-22/h5-9,12-17H,4,10-11H2,1-3H3,(H,30,32)/b23-15+

Composition: C (60.99%), H (4.94%), Br (14.49%), N (5.08%), O (14.51%)

Molar Mass: 551.437

Atom Count: 63

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	550.110335
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	DAYOBYKNKWZUGS-HZHRSRAPSA-N
Lipinski's Rule of Five
Molar Refractivity	141.79
Topological Polar Surface Area	77.1
Polarizability	53.98
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H27BrN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00