3-{4-[(1E)-2-[(3-chloro-2-methylphenyl)carbamoyl]-2-cyanoeth-1-en-1-yl]-2-methoxyphenoxymethyl}benzoic acid

3-{4-[(1E)-2-[(3-chloro-2-methylphenyl)carbamoyl]-2-cyanoeth-1-en-1-yl]-2-methoxyphenoxymethyl}benzoic acid

Formula: C26H21ClN2O5

SMILES: COC1=CC(C=C(/C#N)C(=O)NC2=CC=CC(Cl)=C2C)=CC=C1OCC1=CC=CC(=C1)C(O)=O

IUPAC: 3-({4-[(1E)-2-[(3-chloro-2-methylphenyl)carbamoyl]-2-cyanoeth-1-en-1-yl]-2-methoxyphenoxy}methyl)benzoic acid

InChI: InChI=1S/C26H21ClN2O5/c1-16-21(27)7-4-8-22(16)29-25(30)20(14-28)11-17-9-10-23(24(13-17)33-2)34-15-18-5-3-6-19(12-18)26(31)32/h3-13H,15H2,1-2H3,(H,29,30)(H,31,32)/b20-11+

Composition: C (65.48%), H (4.44%), Cl (7.43%), N (5.87%), O (16.77%)

Molar Mass: 476.91

Atom Count: 55

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	476.1138995
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	IONBYZCKIIXGRL-RGVLZGJSSA-N
Lipinski's Rule of Five
Molar Refractivity	131.03
Topological Polar Surface Area	108.65
Polarizability	48.69
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H21ClN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00