AC1MY04F
methyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-(2-fluorophenyl)-4H-pyran-3-carboxylate
Also Known As: KS-00003S0S|SS-0609|AM-807/14958217|methyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-(2-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-(2-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-(2-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-(2-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-(2-fluorophenyl)-|methyl6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(2-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 | 1322.8525 |
Chemical Identifiers
| CAS Number | 445384-79-2 |
|---|---|
| SMILES | COC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=C(C=C4CCCCCC4=N3)C#N |
Product Overview
AC1MY04F (CAS 445384-79-2), with molecular formula C26H23FN4O3S and molecular weight 490.1475 g/mol. IUPAC: methyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-(2-fluorophenyl)-4H-pyran-3-carboxylate.