methyl {[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate
methyl {[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8014-3791 |
| Compound Name: | methyl {[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 358.84 |
| Molecular Formula: | C18 H15 Cl N2 O2 S |
| Smiles: | COC(CSc1c(C#N)c(c2ccc(cc2)[Cl])c2CCCc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4529 |
| logD: | 4.4528 |
| logSw: | -4.9225 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.137 |
| InChI Key: | ZOAZJELZHYIEBQ-UHFFFAOYSA-N |