ethyl 4-{N-benzoyl-N-[(4-fluorophenyl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{N-benzoyl-N-[(4-fluorophenyl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{N-benzoyl-N-[(4-fluorophenyl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-8402 |
| Compound Name: | ethyl 4-{N-benzoyl-N-[(4-fluorophenyl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C26 H27 F N2 O4 |
| Smiles: | CCOC(c1c(C)c(C(C(C)N(Cc2ccc(cc2)F)C(c2ccccc2)=O)=O)c(C)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2456 |
| logD: | 4.2456 |
| logSw: | -4.2326 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.016 |
| InChI Key: | HUNIUOJWODFAJN-SFHVURJKSA-N |