ethyl [(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetate
ethyl [(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 3419-0102 |
| Compound Name: | ethyl [(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 290.38 |
| Molecular Formula: | C15 H18 N2 O2 S |
| Smiles: | CCOC(CSc1c(C#N)cc2CCCCCc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6161 |
| logD: | 3.6161 |
| logSw: | -3.6531 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.953 |
| InChI Key: | UZGMPMKAHOKCDY-UHFFFAOYSA-N |