AC1LHXHU
2-(pyridin-3-ylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Also Known As: 2-(pyridin-3-ylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile|AM-807/14146457|2-[(3-pyridinylmethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile|2-((pyridin-3-ylmethyl)thio)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile|2-[(3-pyridinylmethyl)thio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile|2-[(pyridin-3-ylmethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
| Molecular Formula | C17H17N3S |
|---|---|
| Molecular Weight | 295.11432 g/mol |
| LogP | 3.90948 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.11432 |
| Monoisotopic Mass | 295.11432 |
| Heavy Atoms | 21 |
| Complexity | 661.7257 |
Chemical Identifiers
| CAS Number | 445382-41-2 |
|---|---|
| SMILES | C1CCC2=CC(=C(N=C2CC1)SCC3=CN=CC=C3)C#N |
Product Overview
AC1LHXHU (CAS 445382-41-2), with molecular formula C17H17N3S and molecular weight 295.11432 g/mol. IUPAC: 2-(pyridin-3-ylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.