5-{5-[(1E)-2-cyano-2-[(3,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzene-1,3-dicarboxylic acid

5-{5-[(1E)-2-cyano-2-[(3,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzene-1,3-dicarboxylic acid

Formula: C24H18N2O6

SMILES: CC1=CC=C(NC(=O)C(=CC2=CC=C(O2)C2=CC(=CC(=C2)C(O)=O)C(O)=O)C#N)C=C1C

IUPAC: 5-{5-[(1E)-2-cyano-2-[(3,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzene-1,3-dicarboxylic acid

InChI: InChI=1S/C24H18N2O6/c1-13-3-4-19(7-14(13)2)26-22(27)18(12-25)11-20-5-6-21(32-20)15-8-16(23(28)29)10-17(9-15)24(30)31/h3-11H,1-2H3,(H,26,27)(H,28,29)(H,30,31)/b18-11+

Composition: C (66.97%), H (4.22%), N (6.51%), O (22.30%)

Molar Mass: 430.416

Atom Count: 50

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	430.116486308
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	IMIQOKFGGXKBPX-WOJGMQOQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.39
Topological Polar Surface Area	140.63
Polarizability	44.1
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H18N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00