benzyl 4-[2-(acetyloxy)ethyl]-5-[(acetyloxy)methyl]-3-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
benzyl 4-[2-(acetyloxy)ethyl]-5-[(acetyloxy)methyl]-3-methyl-1H-pyrrole-2-carboxylate
benzyl 4-[2-(acetyloxy)ethyl]-5-[(acetyloxy)methyl]-3-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | 3448-0291 |
| Compound Name: | benzyl 4-[2-(acetyloxy)ethyl]-5-[(acetyloxy)methyl]-3-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 373.4 |
| Molecular Formula: | C20 H23 N O6 |
| Smiles: | CC(=O)OCCc1c(C)c(C(=O)OCc2ccccc2)[nH]c1COC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8345 |
| logD: | 2.8345 |
| logSw: | -3.2099 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.147 |
| InChI Key: | XQHKLSGBRWWMPI-UHFFFAOYSA-N |