methyl 2-[2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-[2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3931-1661 |
| Compound Name: | methyl 2-[2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C22 H22 N2 O5 S |
| Smiles: | CCOc1ccc(\C=C(/C#N)C(Nc2c(C(=O)OC)c3CCCc3s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.8183 |
| logD: | -1.1107 |
| logSw: | -4.3182 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.481 |
| InChI Key: | QGCINVQZNLPENA-UHFFFAOYSA-N |