ethyl 2-{2-bromo-4-[(1E)-2-cyano-2-[(2-methylcyclohexyl)carbamoyl]eth-1-en-1-yl]-6-methoxyphenoxy}acetate

ethyl 2-{2-bromo-4-[(1E)-2-cyano-2-[(2-methylcyclohexyl)carbamoyl]eth-1-en-1-yl]-6-methoxyphenoxy}acetate

Formula: C22H27BrN2O5

SMILES: CCOC(=O)COC1=C(Br)C=C(C=C(/C#N)C(=O)NC2CCCCC2C)C=C1OC

IUPAC: ethyl 2-{2-bromo-4-[(1E)-2-cyano-2-[(2-methylcyclohexyl)carbamoyl]eth-1-en-1-yl]-6-methoxyphenoxy}acetate

InChI: InChI=1/C22H27BrN2O5/c1-4-29-20(26)13-30-21-17(23)10-15(11-19(21)28-3)9-16(12-24)22(27)25-18-8-6-5-7-14(18)2/h9-11,14,18H,4-8,13H2,1-3H3,(H,25,27)/b16-9+

Composition: C (55.12%), H (5.68%), Br (16.67%), N (5.84%), O (16.69%)

Molar Mass: 479.371

Atom Count: 57

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	478.110335
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CZAWBNDHAUHCLF-CXUHLZMHNA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.47
Topological Polar Surface Area	97.65
Polarizability	44.85
Ring Count	2
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H27BrN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00