ethyl 4-(N-benzoyl-N-ethylalanyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-(N-benzoyl-N-ethylalanyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-(N-benzoyl-N-ethylalanyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V006-2486 |
| Compound Name: | ethyl 4-(N-benzoyl-N-ethylalanyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C21 H26 N2 O4 |
| Smiles: | CCN(C(C)C(c1c(C)c(C(=O)OCC)[nH]c1C)=O)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1716 |
| logD: | 3.1716 |
| logSw: | -3.1326 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.012 |
| InChI Key: | BHFMCYSKBNFDLT-HNNXBMFYSA-N |