AC1NM4U7
methyl 6-amino-5-cyano-2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate
Also Known As: KS-00003S3N|SS-0718|AM-807/14957001|methyl 6-amino-5-cyano-2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate|methyl 6-amino-5-cyano-2-{[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate|methyl 6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridin-2-yl}sulfanyl)methyl]-4-phenyl-4H-pyran-3-carboxylate|methyl 6-amino-5-cyano-2-{[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-|methyl6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridin-2-yl}sulfanyl)methyl]-4-phenyl-4H-pyran-3-carboxylate
| Molecular Formula | C27H26N4O3S |
|---|---|
| Molecular Weight | 486.17258 g/mol |
| LogP | 4.63936 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.17258 |
| Monoisotopic Mass | 486.17258 |
| Heavy Atoms | 35 |
| Complexity | 1271.812 |
Chemical Identifiers
| CAS Number | 354556-44-8 |
|---|---|
| SMILES | COC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=C(C=C4CCCCCCC4=N3)C#N |
Product Overview
AC1NM4U7 (CAS 354556-44-8), with molecular formula C27H26N4O3S and molecular weight 486.17258 g/mol. IUPAC: methyl 6-amino-5-cyano-2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate.
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