AC1MPNI6

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

Also Known As: KS-00003RZA|SS-0551|AM-807/14957038|methyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)|methyl6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(3-methoxyphenyl)-4H-pyran-3-carboxylate

Molecular Formula	C27H26N4O4S
Molecular Weight	502.16748 g/mol
LogP	4.25786
Topological Polar Surface Area	131.25 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	502.16748
Monoisotopic Mass	502.16748
Heavy Atoms	36
Complexity	1336.2595

Chemical Identifiers

CAS Number	445384-08-7
SMILES	COC1=CC=CC(=C1)C2C(=C(OC(=C2C(=O)OC)CSC3=C(C=C4CCCCCC4=N3)C#N)N)C#N