ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 1313-0852 |
| Compound Name: | ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 281.31 |
| Molecular Formula: | C14 H19 N O5 |
| Smiles: | CCOC(CC(c1c(C)c(C(=O)OCC)c(C)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8176 |
| logD: | 1.8151 |
| logSw: | -1.5669 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.379 |
| InChI Key: | DIQGPRUTKMOZHE-UHFFFAOYSA-N |