(2E)-2-cyano-3-[3,5-dibromo-4-(prop-2-en-1-yloxy)phenyl]-N-(1-phenylethyl)prop-2-enamide

(2E)-2-cyano-3-[3,5-dibromo-4-(prop-2-en-1-yloxy)phenyl]-N-(1-phenylethyl)prop-2-enamide

Formula: C21H18Br2N2O2

SMILES: CC(NC(=O)C(=CC1=CC(Br)=C(OCC=C)C(Br)=C1)C#N)C1=CC=CC=C1

IUPAC: (2E)-2-cyano-3-[3,5-dibromo-4-(prop-2-en-1-yloxy)phenyl]-N-(1-phenylethyl)prop-2-enamide

InChI: InChI=1/C21H18Br2N2O2/c1-3-9-27-20-18(22)11-15(12-19(20)23)10-17(13-24)21(26)25-14(2)16-7-5-4-6-8-16/h3-8,10-12,14H,1,9H2,2H3,(H,25,26)/b17-10+

Composition: C (51.46%), H (3.70%), Br (32.60%), N (5.71%), O (6.53%)

Molar Mass: 490.195

Atom Count: 45

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	487.973504
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZPJWOWAJNFQABW-LICLKQGHNA-N
Lipinski's Rule of Five
Molar Refractivity	114.74
Topological Polar Surface Area	62.12
Polarizability	43.31
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H18Br2N2O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00