ethyl 3-acetamido-1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3-acetamido-1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
ethyl 3-acetamido-1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E649-1880 |
| Compound Name: | ethyl 3-acetamido-1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C26 H31 N3 O4 S |
| Smiles: | CCOC(c1c(c2c3CCCCc3sc2n1CC(Nc1ccc(cc1)C(C)C)=O)NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7513 |
| logD: | 4.0688 |
| logSw: | -4.6083 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.012 |
| InChI Key: | HCWPHIKUXIBHSJ-UHFFFAOYSA-N |