ethyl 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
ethyl 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-2852 |
| Compound Name: | ethyl 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 455.57 |
| Molecular Formula: | C26 H34 F N3 O3 |
| Smiles: | CCOC(c1cc(c2ccc(cc2)F)n(CC(N2CCN(CC2)C2CCCCC2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7078 |
| logD: | 4.5454 |
| logSw: | -4.3512 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.157 |
| InChI Key: | PVPPSELXWFHENF-UHFFFAOYSA-N |