methyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
methyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D360-5948 |
| Compound Name: | methyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 248.3 |
| Molecular Formula: | C12 H12 N2 O2 S |
| Smiles: | COC(CSc1c(C#N)cc2CCCc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1592 |
| logD: | 2.1592 |
| logSw: | -2.398 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.408 |
| InChI Key: | HKUIJBBQSGBLQK-UHFFFAOYSA-N |