AC1NN0F8
ethyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate
Also Known As: KS-00003S3O|SS-0719|AM-807/14957006|ethyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate|ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate|ethyl 6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate|ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4|ethyl6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C27H25FN4O3S |
|---|---|
| Molecular Weight | 504.16315 g/mol |
| LogP | 4.77846 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.16315 |
| Monoisotopic Mass | 504.16315 |
| Heavy Atoms | 36 |
| Complexity | 1322.2546 |
Chemical Identifiers
| CAS Number | 354556-46-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)F)C#N)N)CSC3=C(C=C4CCCCCC4=N3)C#N |
Product Overview
AC1NN0F8 (CAS 354556-46-0), with molecular formula C27H25FN4O3S and molecular weight 504.16315 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate.
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