benzyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
benzyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
benzyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8002-7018 |
| Compound Name: | benzyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 324.4 |
| Molecular Formula: | C18 H16 N2 O2 S |
| Smiles: | C1Cc2cc(C#N)c(nc2C1)SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0198 |
| logD: | 4.0198 |
| logSw: | -4.3166 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.092 |
| InChI Key: | QNCOWJHMJSJMFJ-UHFFFAOYSA-N |