dimethyl 2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
dimethyl 2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Compound characteristics
| Compound ID: | 3453-1729 |
| Compound Name: | dimethyl 2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate |
| Molecular Weight: | 440.47 |
| Molecular Formula: | C22 H20 N2 O6 S |
| Smiles: | COC(C1CCc2c1c(C(=O)OC)c(NC(C(=C\c1ccc(cc1)OC)\C#N)=O)s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.477 |
| logD: | -0.937 |
| logSw: | -4.069 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.358 |
| InChI Key: | KNIITMQGDCDMOZ-HNNXBMFYSA-N |