1-ethyl-4-methyl-2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-4-methyl-2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-pyrrole-3-carboxylic acid
1-ethyl-4-methyl-2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0375 |
| Compound Name: | 1-ethyl-4-methyl-2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 423.43 |
| Molecular Formula: | C21 H24 F3 N3 O3 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9796 |
| logD: | 1.1804 |
| logSw: | -2.7209 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.763 |
| InChI Key: | NHXAEDYKMGKOSR-UHFFFAOYSA-N |