(2E)-2-cyano-3-{2-[(2-cyanophenyl)methoxy]naphthalen-1-yl}-N-(3-methoxyphenyl)prop-2-enamide

(2E)-2-cyano-3-{2-[(2-cyanophenyl)methoxy]naphthalen-1-yl}-N-(3-methoxyphenyl)prop-2-enamide

Formula: C29H21N3O3

SMILES: COC1=CC(NC(=O)C(=CC2=C(OCC3=CC=CC=C3C#N)C=CC3=CC=CC=C23)C#N)=CC=C1

IUPAC: (2E)-2-cyano-3-{2-[(2-cyanophenyl)methoxy]naphthalen-1-yl}-N-(3-methoxyphenyl)prop-2-enamide

InChI: InChI=1S/C29H21N3O3/c1-34-25-11-6-10-24(16-25)32-29(33)23(18-31)15-27-26-12-5-4-7-20(26)13-14-28(27)35-19-22-9-3-2-8-21(22)17-30/h2-16H,19H2,1H3,(H,32,33)/b23-15+

Composition: C (75.80%), H (4.61%), N (9.14%), O (10.45%)

Molar Mass: 459.505

Atom Count: 56

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	459.158291548
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JXRKKOREDQQQIG-HZHRSRAPSA-N
Lipinski's Rule of Five
Molar Refractivity	136.1
Topological Polar Surface Area	95.14
Polarizability	52.06
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H21N3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00