ethyl 1-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
Compound ID: | K906-2009 |
Compound Name: | ethyl 1-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
Molecular Weight: | 463.55 |
Molecular Formula: | C27 H30 F N3 O3 |
Smiles: | CCOC(c1cc(c2ccccc2)n(CCC(N2CCN(CC2)c2ccccc2F)=O)c1C)=O |
Stereo: | ACHIRAL |
logP: | 4.8326 |
logD: | 4.8325 |
logSw: | -4.5814 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 41.002 |
InChI Key: | WMUQSTISYRXGRE-UHFFFAOYSA-N |