4-[(1E)-2-cyano-2-[(furan-2-ylmethyl)carbamoyl]eth-1-en-1-yl]phenyl 2,4-dichlorobenzoate

4-[(1E)-2-cyano-2-[(furan-2-ylmethyl)carbamoyl]eth-1-en-1-yl]phenyl 2,4-dichlorobenzoate

Formula: C22H14Cl2N2O4

SMILES: ClC1=CC=C(C(=O)OC2=CC=C(C=C(/C#N)C(=O)NCC3=CC=CO3)C=C2)C(Cl)=C1

IUPAC: 4-[(1E)-2-cyano-2-{[(furan-2-yl)methyl]carbamoyl}eth-1-en-1-yl]phenyl 2,4-dichlorobenzoate

InChI: InChI=1S/C22H14Cl2N2O4/c23-16-5-8-19(20(24)11-16)22(28)30-17-6-3-14(4-7-17)10-15(12-25)21(27)26-13-18-2-1-9-29-18/h1-11H,13H2,(H,26,27)/b15-10+

Composition: C (59.88%), H (3.20%), Cl (16.07%), N (6.35%), O (14.50%)

Molar Mass: 441.26

Atom Count: 44

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	440.0330623
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DWCOHIWUBBKREM-XNTDXEJSSA-N
Lipinski's Rule of Five
Molar Refractivity	113.25
Topological Polar Surface Area	92.33
Polarizability	42.79
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H14Cl2N2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00