AC1N6QGN
methyl 6-amino-4-(3-bromophenyl)-5-cyano-2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate
Also Known As: SS-0742|KS-00003S48|AM-807/14957392|methyl 6-amino-4-(3-bromophenyl)-5-cyano-2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate|methyl 6-amino-4-(3-bromophenyl)-5-cyano-2-{[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[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,10H-cycloocta[b]pyridin-2-yl}sulfanyl)methyl]-4H-pyran-3-carboxylate|methyl 6-amino-4-(3-bromophenyl)-5-cyano-2-{[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]methyl}-4H|methyl6-amino-4-(3-bromophenyl)-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridin-2-yl}sulfanyl)methyl]-4H-pyran-3-carboxylate
| Molecular Formula | C27H25BrN4O3S |
|---|---|
| Molecular Weight | 564.08307 g/mol |
| LogP | 5.40186 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 564.08307 |
| Monoisotopic Mass | 564.08307 |
| Heavy Atoms | 36 |
| Complexity | 1339.5046 |
Chemical Identifiers
| CAS Number | 354556-66-4 |
|---|---|
| SMILES | COC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)Br)C#N)N)CSC3=C(C=C4CCCCCCC4=N3)C#N |
Product Overview
AC1N6QGN (CAS 354556-66-4), with molecular formula C27H25BrN4O3S and molecular weight 564.08307 g/mol. IUPAC: methyl 6-amino-4-(3-bromophenyl)-5-cyano-2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate.
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