ethyl 2-(2-{[(2,5-dioxopyrrolidin-1-yl)acetyl]oxy}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[(2,5-dioxopyrrolidin-1-yl)acetyl]oxy}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[(2,5-dioxopyrrolidin-1-yl)acetyl]oxy}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8004-7420 |
| Compound Name: | ethyl 2-(2-{[(2,5-dioxopyrrolidin-1-yl)acetyl]oxy}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C19 H22 N2 O7 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(COC(CN1C(CCC1=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2045 |
| logD: | -0.8945 |
| logSw: | -1.8469 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.471 |
| InChI Key: | PFMRDWNVOBVKCM-UHFFFAOYSA-N |