ethyl 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
ethyl 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-3154 |
| Compound Name: | ethyl 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C28 H32 F N3 O3 |
| Smiles: | CCOC(c1cc(c2ccc(cc2)F)n(CCC(N2CCN(CC2)Cc2ccccc2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4692 |
| logD: | 4.4362 |
| logSw: | -4.2364 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.583 |
| InChI Key: | QWNZFUCUWBBQEK-UHFFFAOYSA-N |