ethyl 4-benzoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-benzoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-benzoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | 8008-5201 |
| Compound Name: | ethyl 4-benzoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 271.31 |
| Molecular Formula: | C16 H17 N O3 |
| Smiles: | CCOC(c1c(C)c(C(c2ccccc2)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1918 |
| logD: | 3.1918 |
| logSw: | -3.2005 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.441 |
| InChI Key: | YDAPTZSCXXNIMK-UHFFFAOYSA-N |