benzyl 4-ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
benzyl 4-ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate
benzyl 4-ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | 8009-1572 |
| Compound Name: | benzyl 4-ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 271.31 |
| Molecular Formula: | C16 H17 N O3 |
| Smiles: | CCc1c(C)c(C(=O)OCc2ccccc2)[nH]c1C=O |
| Stereo: | ACHIRAL |
| logP: | 3.2538 |
| logD: | 3.2538 |
| logSw: | -3.1956 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.926 |
| InChI Key: | XVXYAGCYQBAFHM-UHFFFAOYSA-N |