2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(naphthalen-2-yl)acetamide
Chemical Structure Depiction of
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(naphthalen-2-yl)acetamide
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(naphthalen-2-yl)acetamide
Compound characteristics
| Compound ID: | 4084-0047 |
| Compound Name: | 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(naphthalen-2-yl)acetamide |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C23 H21 N3 O S |
| Smiles: | C1CCc2cc(C#N)c(nc2CC1)SCC(Nc1ccc2ccccc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6208 |
| logD: | 5.6208 |
| logSw: | -6.4605 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.401 |
| InChI Key: | HHKVHJQIPGAHAD-UHFFFAOYSA-N |