AC1LCY2C

ethyl 6-amino-5-cyano-2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate

Also Known As: ChemDiv1_002138|HMS593B04|KS-00003S7J|SS-0870|AK-777/11501061|SR-01000000788-2|ethyl 6-amino-5-cyano-2-[(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate|ethyl 6-amino-5-cyano-2-[({5-cyano-[2,4'-bipyridine]-6-yl}sulfanyl)methyl]-4-(pyridin-3-yl)-4H-pyran-3-carboxylate|2-amino-3-cyano-4-(3-pyridyl)-5-ethoxocarbonyl-6-5-(2'-(3'-cyano-6'-(4-pyridayl)pyridyl))thiomethyl-1,4-dihydropyran|ethyl 6-amino-5-cyano-2-(((5-cyano-[2,4'-bipyridin]-6-yl)thio)methyl)-4-(pyridin-3-yl)-4H-pyran-3-carboxylate|ethyl 6-amino-5-cyano-2-[(3-cyano-6-(4-pyridyl)(2-pyridylthio))methyl]-4-(3-py ridyl)-4H-pyran-3-carboxylate|ethyl 6-amino-5-cyano-2-{[(3-cyano-6,4'-bipyridin-2-yl)sulfanyl]methyl}-4-pyridin-3-yl-4H-pyran-3-carboxylate|ethyl 6-amino-5-cyano-2-{[(5-cyano-2,4'-bipyridin-6-yl)sulfanyl]methyl}-4-(pyridin-3-yl)-4H-pyran-3-carboxylate|ethyl6-amino-5-cyano-2-[({5-cyano-[2,4'-bipyridine]-6-yl}sulfanyl)methyl]-4-(pyridin-3-yl)-4H-pyran-3-carboxylate

Molecular Formula	C26H20N6O3S
Molecular Weight	496.13177 g/mol
LogP	2.6
Topological Polar Surface Area	173.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	496.13177
Monoisotopic Mass	496.13177
Heavy Atoms	36
Complexity	973.0

Chemical Identifiers

CAS Number	313380-23-3
SMILES	CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)CSC3=C(C=CC(=N3)C4=CC=NC=C4)C#N
InChIKey	BCYSDRBLLFDUKH-UHFFFAOYSA-N