ethyl 4-{5-[(1E)-2-[(3-chlorophenyl)carbamoyl]-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoate

ethyl 4-{5-[(1E)-2-[(3-chlorophenyl)carbamoyl]-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoate

Formula: C23H17ClN2O4

SMILES: CCOC(=O)C1=CC=C(C=C1)C1=CC=C(O1)C=C(/C#N)C(=O)NC1=CC=CC(Cl)=C1

IUPAC: ethyl 4-{5-[(1E)-2-[(3-chlorophenyl)carbamoyl]-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoate

InChI: InChI=1S/C23H17ClN2O4/c1-2-29-23(28)16-8-6-15(7-9-16)21-11-10-20(30-21)12-17(14-25)22(27)26-19-5-3-4-18(24)13-19/h3-13H,2H2,1H3,(H,26,27)/b17-12+

Composition: C (65.64%), H (4.07%), Cl (8.42%), N (6.66%), O (15.21%)

Molar Mass: 420.85

Atom Count: 47

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	420.0876847
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HLSXTVHKATXGHQ-SFQUDFHCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.37
Topological Polar Surface Area	92.33
Polarizability	44.03
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H17ClN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00