4-{2,6-dichloro-4-[(1E)-2-cyano-2-[(3-methoxyphenyl)carbamoyl]eth-1-en-1-yl]phenoxymethyl}benzoic acid

4-{2,6-dichloro-4-[(1E)-2-cyano-2-[(3-methoxyphenyl)carbamoyl]eth-1-en-1-yl]phenoxymethyl}benzoic acid

Formula: C25H18Cl2N2O5

SMILES: COC1=CC(NC(=O)C(=CC2=CC(Cl)=C(OCC3=CC=C(C=C3)C(O)=O)C(Cl)=C2)C#N)=CC=C1

IUPAC: 4-({2,6-dichloro-4-[(1E)-2-cyano-2-[(3-methoxyphenyl)carbamoyl]eth-1-en-1-yl]phenoxy}methyl)benzoic acid

InChI: InChI=1S/C25H18Cl2N2O5/c1-33-20-4-2-3-19(12-20)29-24(30)18(13-28)9-16-10-21(26)23(22(27)11-16)34-14-15-5-7-17(8-6-15)25(31)32/h2-12H,14H2,1H3,(H,29,30)(H,31,32)/b18-9+

Composition: C (60.38%), H (3.65%), Cl (14.26%), N (5.63%), O (16.08%)

Molar Mass: 497.33

Atom Count: 52

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	496.0592771
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	BXTGRVJXSIKUJI-GIJQJNRQSA-N
Lipinski's Rule of Five
Molar Refractivity	130.8
Topological Polar Surface Area	108.65
Polarizability	48.88
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H18Cl2N2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00