benzyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
benzyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate
benzyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8003-0331 |
| Compound Name: | benzyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C21 H22 N2 O2 S |
| Smiles: | C1CCCc2c(CC1)cc(C#N)c(n2)SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3815 |
| logD: | 5.3815 |
| logSw: | -5.6546 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.057 |
| InChI Key: | QWVLTGZMGNXLHR-UHFFFAOYSA-N |