ethyl 4-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate
ethyl 4-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate
Compound characteristics
| Compound ID: | 8002-7105 |
| Compound Name: | ethyl 4-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C18 H22 N2 O3 S |
| Smiles: | CCOC(CC(CSc1c(C#N)cc2CCCCCCc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6993 |
| logD: | 3.6992 |
| logSw: | -3.7155 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.708 |
| InChI Key: | URHPJRCWCJINNC-UHFFFAOYSA-N |