methyl {[7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate
methyl {[7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4088-0118 |
| Compound Name: | methyl {[7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C23 H18 N2 O2 S2 |
| Smiles: | COC(CSc1c(C#N)c(c2ccsc2)c2CC/C(=C\c3ccccc3)c2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2703 |
| logD: | 5.2703 |
| logSw: | -5.3033 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.244 |
| InChI Key: | MHEQGAVLXWPTGB-UHFFFAOYSA-N |