AC1NMQXK
methyl 6-amino-4-(3-bromophenyl)-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate
Also Known As: KS-00003S3M|SS-0717|AM-807/14957391|methyl 6-amino-4-(3-bromophenyl)-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate|methyl 6-amino-4-(3-bromophenyl)-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate|methyl 6-amino-4-(3-bromophenyl)-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4H-pyran-3-carboxylate|methyl 6-amino-4-(3-bromophenyl)-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4|methyl6-amino-4-(3-bromophenyl)-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4H-pyran-3-carboxylate
| Molecular Formula | C26H23BrN4O3S |
|---|---|
| Molecular Weight | 550.06744 g/mol |
| LogP | 5.01176 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 550.06744 |
| Monoisotopic Mass | 550.06744 |
| Heavy Atoms | 35 |
| Complexity | 1322.8525 |
Chemical Identifiers
| CAS Number | 354556-65-3 |
|---|---|
| SMILES | COC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)Br)C#N)N)CSC3=C(C=C4CCCCCC4=N3)C#N |
Product Overview
AC1NMQXK (CAS 354556-65-3), with molecular formula C26H23BrN4O3S and molecular weight 550.06744 g/mol. IUPAC: methyl 6-amino-4-(3-bromophenyl)-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate.