dimethyl 2-(2-cyano-3-phenylprop-2-enamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-(2-cyano-3-phenylprop-2-enamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
dimethyl 2-(2-cyano-3-phenylprop-2-enamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Compound characteristics
| Compound ID: | 3643-3301 |
| Compound Name: | dimethyl 2-(2-cyano-3-phenylprop-2-enamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C21 H18 N2 O5 S |
| Smiles: | COC(C1CCc2c1c(C(=O)OC)c(NC(C(=C\c1ccccc1)\C#N)=O)s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.499 |
| logD: | -0.915 |
| logSw: | -4.0617 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.814 |
| InChI Key: | ORZRKPHIBQSETJ-AWEZNQCLSA-N |