methyl 4-[ethoxy(oxo)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[ethoxy(oxo)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
methyl 4-[ethoxy(oxo)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | C799-0874 |
| Compound Name: | methyl 4-[ethoxy(oxo)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 253.25 |
| Molecular Formula: | C12 H15 N O5 |
| Smiles: | CCOC(C(c1c(C(=O)OC)c(C)[nH]c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5319 |
| logD: | 1.5319 |
| logSw: | -1.2645 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.692 |
| InChI Key: | OPBXIOXDIGLUHE-UHFFFAOYSA-N |