2-{5-[(1E)-2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]furan-2-yl}benzoic acid

2-{5-[(1E)-2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]furan-2-yl}benzoic acid

Formula: C21H20N2O4

SMILES: OC(=O)C1=CC=CC=C1C1=CC=C(O1)C=C(/C#N)C(=O)NC1CCCCC1

IUPAC: 2-{5-[(1E)-2-cyano-2-(cyclohexylcarbamoyl)eth-1-en-1-yl]furan-2-yl}benzoic acid

InChI: InChI=1S/C21H20N2O4/c22-13-14(20(24)23-15-6-2-1-3-7-15)12-16-10-11-19(27-16)17-8-4-5-9-18(17)21(25)26/h4-5,8-12,15H,1-3,6-7H2,(H,23,24)(H,25,26)/b14-12+

Composition: C (69.22%), H (5.53%), N (7.69%), O (17.56%)

Molar Mass: 364.401

Atom Count: 47

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	364.142307132
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SWSOPNCRJVUADU-WYMLVPIESA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.51
Topological Polar Surface Area	103.33
Polarizability	38.97
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H20N2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00