AC1LCXQS

ethyl 6-amino-5-cyano-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate

Also Known As: KS-00003S7L|SS-0872|NCGC00018844-03|AK-777/11500058|ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate|ethyl 6-amino-5-cyano-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate|ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro[1,6]naphthyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate|ethyl 6-amino-5-cyano-2-(((3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)methyl)-4-phenyl-4H-pyran-3-carboxylate|ethyl 6-amino-5-cyano-2-[(3-cyano-6-methyl(5,6,7,8-tetrahydropyridino[5,6-c]py ridin-2-ylthio))methyl]-4-phenyl-4H-pyran-3-carboxylate|ethyl6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate

Molecular Formula	C26H25N5O3S
Molecular Weight	487.16782 g/mol
LogP	3.0
Topological Polar Surface Area	151.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	487.16782
Monoisotopic Mass	487.16782
Heavy Atoms	35
Complexity	970.0

Chemical Identifiers

CAS Number	327166-82-5
SMILES	CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=C(C=C4CN(CCC4=N3)C)C#N
InChIKey	XCDSOFQHFOYYDD-UHFFFAOYSA-N