4-{2-[(1E)-2-cyano-2-[(3,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl]phenoxymethyl}benzoic acid

4-{2-[(1E)-2-cyano-2-[(3,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl]phenoxymethyl}benzoic acid

Formula: C26H22N2O4

SMILES: CC1=CC=C(NC(=O)C(=CC2=CC=CC=C2OCC2=CC=C(C=C2)C(O)=O)C#N)C=C1C

IUPAC: 4-({2-[(1E)-2-cyano-2-[(3,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl]phenoxy}methyl)benzoic acid

InChI: InChI=1S/C26H22N2O4/c1-17-7-12-23(13-18(17)2)28-25(29)22(15-27)14-21-5-3-4-6-24(21)32-16-19-8-10-20(11-9-19)26(30)31/h3-14H,16H2,1-2H3,(H,28,29)(H,30,31)/b22-14+

Composition: C (73.23%), H (5.20%), N (6.57%), O (15.01%)

Molar Mass: 426.472

Atom Count: 54

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	426.157957196
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	GMSMYUBOAINXFZ-HYARGMPZSA-N
Lipinski's Rule of Five
Molar Refractivity	124.81
Topological Polar Surface Area	99.42
Polarizability	46.04
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H22N2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00