ethyl 1-[3-(tert-butylamino)-3-oxopropyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(tert-butylamino)-3-oxopropyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
ethyl 1-[3-(tert-butylamino)-3-oxopropyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-3163 |
| Compound Name: | ethyl 1-[3-(tert-butylamino)-3-oxopropyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 374.45 |
| Molecular Formula: | C21 H27 F N2 O3 |
| Smiles: | CCOC(c1cc(c2ccc(cc2)F)n(CCC(NC(C)(C)C)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.417 |
| logD: | 4.417 |
| logSw: | -4.1413 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.217 |
| InChI Key: | YNKXQFXRHOFSRH-UHFFFAOYSA-N |