ethyl 4-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate
ethyl 4-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate
Compound characteristics
| Compound ID: | 8006-4363 |
| Compound Name: | ethyl 4-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate |
| Molecular Weight: | 318.39 |
| Molecular Formula: | C16 H18 N2 O3 S |
| Smiles: | CCOC(CC(CSc1c(C#N)c(C)c2CCCc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6551 |
| logD: | 2.655 |
| logSw: | -2.5491 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.743 |
| InChI Key: | PUJPOIHBALWYLW-UHFFFAOYSA-N |