ethyl 4-{[4-tert-butyl-N-(4-fluorophenyl)benzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[4-tert-butyl-N-(4-fluorophenyl)benzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[4-tert-butyl-N-(4-fluorophenyl)benzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | 8012-7911 |
| Compound Name: | ethyl 4-{[4-tert-butyl-N-(4-fluorophenyl)benzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 450.55 |
| Molecular Formula: | C27 H31 F N2 O3 |
| Smiles: | CCOC(c1c(C)c(CN(C(c2ccc(cc2)C(C)(C)C)=O)c2ccc(cc2)F)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4592 |
| logD: | 6.4592 |
| logSw: | -5.748 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.325 |
| InChI Key: | HJYVMRRXPOLIQJ-UHFFFAOYSA-N |