2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | 8012-0645 |
| Compound Name: | 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 365.5 |
| Molecular Formula: | C21 H23 N3 O S |
| Smiles: | C1CCc2cc(C#N)c(nc2CC1)SCC(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.861 |
| logD: | 3.861 |
| logSw: | -3.9315 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.836 |
| InChI Key: | RTAUQPXZFDGBRY-UHFFFAOYSA-N |