ethyl 6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate

ethyl 6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate

Formula: C21H24N2O7

SMILES: CCOC(=O)CC1=C(C(C2=CC=C(OC)C(OC)=C2)C(C#N)=C(N)O1)C(=O)OCC

IUPAC: ethyl 6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate

InChI: InChI=1/C21H24N2O7/c1-5-28-17(24)10-16-19(21(25)29-6-2)18(13(11-22)20(23)30-16)12-7-8-14(26-3)15(9-12)27-4/h7-9,18H,5-6,10,23H2,1-4H3

Composition: C (60.57%), H (5.81%), N (6.73%), O (26.89%)

Molar Mass: 416.43

Atom Count: 54

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	416.158351121
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	QYOCZFSYVSOSDQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.71
Topological Polar Surface Area	130.1
Polarizability	41.39
Ring Count	2
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H24N2O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00