4-benzyl 2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Chemical Structure Depiction of
4-benzyl 2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
4-benzyl 2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 8009-1570 |
| Compound Name: | 4-benzyl 2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate |
| Molecular Weight: | 301.34 |
| Molecular Formula: | C17 H19 N O4 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCc2ccccc2)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.287 |
| logD: | 3.287 |
| logSw: | -3.3638 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.831 |
| InChI Key: | NZBULECUPWFGMQ-UHFFFAOYSA-N |