AC1MXWJQ

methyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate

Also Known As: KS-00003S0Q|SS-0607|AM-807/14958012|methyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate|methyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate|Methyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-(4-fluorophenyl)-4H-pyran-3-carboxylate|methyl 6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate|methyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-|methyl6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate

Molecular Formula	C26H23FN4O3S
Molecular Weight	490.1475 g/mol
LogP	4.38836
Topological Polar Surface Area	122.02 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	490.1475
Monoisotopic Mass	490.1475
Heavy Atoms	35
Complexity	1305.6025

Chemical Identifiers

CAS Number	445384-74-7
SMILES	COC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)F)C#N)N)CSC3=C(C=C4CCCCCC4=N3)C#N