ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | 8007-6695 |
| Compound Name: | ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 253.3 |
| Molecular Formula: | C13 H19 N O4 |
| Smiles: | CCc1c(C)c(C(=O)OCC)[nH]c1COC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3876 |
| logD: | 2.3876 |
| logSw: | -2.0714 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.893 |
| InChI Key: | GQRDHGBHCWLNQG-UHFFFAOYSA-N |