4-{4-chloro-2-[(1E)-2-[(4-chlorophenyl)carbamoyl]-2-cyanoeth-1-en-1-yl]phenoxymethyl}benzoic acid

4-{4-chloro-2-[(1E)-2-[(4-chlorophenyl)carbamoyl]-2-cyanoeth-1-en-1-yl]phenoxymethyl}benzoic acid

Formula: C24H16Cl2N2O4

SMILES: OC(=O)C1=CC=C(COC2=CC=C(Cl)C=C2C=C(/C#N)C(=O)NC2=CC=C(Cl)C=C2)C=C1

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

InChI: InChI=1S/C24H16Cl2N2O4/c25-19-5-8-21(9-6-19)28-23(29)18(13-27)11-17-12-20(26)7-10-22(17)32-14-15-1-3-16(4-2-15)24(30)31/h1-12H,14H2,(H,28,29)(H,30,31)/b18-11+

Composition: C (61.69%), H (3.45%), Cl (15.17%), N (5.99%), O (13.69%)

Molar Mass: 467.3

Atom Count: 48

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	466.0487124
Formal Charge	0
FSP3	0.04
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	AIZDVHXELMNKGL-WOJGMQOQSA-N
Lipinski's Rule of Five
Molar Refractivity	124.33
Topological Polar Surface Area	99.42
Polarizability	46.28
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H16Cl2N2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00