ethyl 1-[3-(benzylamino)-3-oxopropyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(benzylamino)-3-oxopropyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
ethyl 1-[3-(benzylamino)-3-oxopropyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-2776 |
| Compound Name: | ethyl 1-[3-(benzylamino)-3-oxopropyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 408.47 |
| Molecular Formula: | C24 H25 F N2 O3 |
| Smiles: | CCOC(c1cc(c2ccc(cc2)F)n(CCC(NCc2ccccc2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7069 |
| logD: | 4.7068 |
| logSw: | -4.3279 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.121 |
| InChI Key: | XYKIDPQZRVOTNY-UHFFFAOYSA-N |