ethyl 4-{N-[(4-fluorophenyl)methyl]-N-propanoylalanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{N-[(4-fluorophenyl)methyl]-N-propanoylalanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{N-[(4-fluorophenyl)methyl]-N-propanoylalanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V026-7171 |
| Compound Name: | ethyl 4-{N-[(4-fluorophenyl)methyl]-N-propanoylalanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 402.46 |
| Molecular Formula: | C22 H27 F N2 O4 |
| Salt: | not_available |
| Smiles: | CCC(N(Cc1ccc(cc1)F)C(C)C(c1c(C)c(C(=O)OCC)[nH]c1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3885 |
| logD: | 3.3885 |
| logSw: | -3.707 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.76 |
| InChI Key: | BGSOKKQWTVGGEV-HNNXBMFYSA-N |