(2E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-cyano-N-propylprop-2-enamide

(2E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-cyano-N-propylprop-2-enamide

Formula: C16H19BrN2O3

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

IUPAC: (2E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-cyano-N-propylprop-2-enamide

InChI: InChI=1S/C16H19BrN2O3/c1-4-6-19-16(20)12(10-18)7-11-8-13(17)15(21-3)14(9-11)22-5-2/h7-9H,4-6H2,1-3H3,(H,19,20)/b12-7+

Composition: C (52.33%), H (5.22%), Br (21.76%), N (7.63%), O (13.07%)

Molar Mass: 367.243

Atom Count: 41

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	366.057905
Formal Charge	0
FSP3	0.37
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CUUNUYMJOBBLTH-KPKJPENVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.4
Topological Polar Surface Area	71.35
Polarizability	33.73
Ring Count	1
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H19BrN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00