2-[(cyanomethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-[(cyanomethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | F235-1027 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 243.33 |
| Molecular Formula: | C13 H13 N3 S |
| Smiles: | C1CCc2cc(C#N)c(nc2CC1)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 2.9935 |
| logD: | 2.9935 |
| logSw: | -3.2953 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.286 |
| InChI Key: | WXSLFCWKKXGJSS-UHFFFAOYSA-N |