methyl 6-amino-4-[4-(carbamoylmethoxy)-3-methoxyphenyl]-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate

methyl 6-amino-4-[4-(carbamoylmethoxy)-3-methoxyphenyl]-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate

Formula: C20H21N3O8

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

IUPAC: methyl 6-amino-4-[4-(carbamoylmethoxy)-3-methoxyphenyl]-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate

InChI: InChI=1/C20H21N3O8/c1-27-13-6-10(4-5-12(13)30-9-15(22)24)17-11(8-21)19(23)31-14(7-16(25)28-2)18(17)20(26)29-3/h4-6,17H,7,9,23H2,1-3H3,(H2,22,24)

Composition: C (55.68%), H (4.91%), N (9.74%), O (29.67%)

Molar Mass: 431.401

Atom Count: 52

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	431.132864648
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	XIHKSBCIVSJSFG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.12
Topological Polar Surface Area	173.19
Polarizability	40.85
Ring Count	2
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H21N3O8		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00