methyl 4-(N-benzoyl-N-ethylalanyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-(N-benzoyl-N-ethylalanyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
methyl 4-(N-benzoyl-N-ethylalanyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V006-3082 |
| Compound Name: | methyl 4-(N-benzoyl-N-ethylalanyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C21 H26 N2 O4 |
| Smiles: | CCN(C(C)C(c1c(C)c(C(=O)OC)n(C)c1C)=O)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6389 |
| logD: | 2.6389 |
| logSw: | -2.7046 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.259 |
| InChI Key: | IHIMSSZNFPALOK-HNNXBMFYSA-N |