ethyl 4-{5-[(1E)-2-cyano-2-[(pyridin-3-ylmethyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

ethyl 4-{5-[(1E)-2-cyano-2-[(pyridin-3-ylmethyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

Formula: C23H19N3O4

SMILES: CCOC(=O)C1=CC=C(C=C1)C1=CC=C(O1)C=C(/C#N)C(=O)NCC1=CC=CN=C1

IUPAC: ethyl 4-{5-[(1E)-2-cyano-2-{[(pyridin-3-yl)methyl]carbamoyl}eth-1-en-1-yl]furan-2-yl}benzoate

InChI: InChI=1S/C23H19N3O4/c1-2-29-23(28)18-7-5-17(6-8-18)21-10-9-20(30-21)12-19(13-24)22(27)26-15-16-4-3-11-25-14-16/h3-12,14H,2,15H2,1H3,(H,26,27)/b19-12+

Composition: C (68.82%), H (4.77%), N (10.47%), O (15.94%)

Molar Mass: 401.422

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	401.137556104
Formal Charge	0
FSP3	0.13
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RYHFLKBVZFXAHP-XDHOZWIPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.47
Topological Polar Surface Area	105.22
Polarizability	43.11
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H19N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00