ethyl 1-[2-(3,4-diethoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(3,4-diethoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 1-[2-(3,4-diethoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K815-0072 |
| Compound Name: | ethyl 1-[2-(3,4-diethoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 359.46 |
| Molecular Formula: | C21 H29 N O4 |
| Smiles: | CCOC(c1cc(C)n(CCc2ccc(c(c2)OCC)OCC)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7921 |
| logD: | 3.7921 |
| logSw: | -3.8153 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.313 |
| InChI Key: | AAOZZWOXQKOGEV-UHFFFAOYSA-N |