ethyl 3,5-dimethyl-4-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3,5-dimethyl-4-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-1H-pyrrole-2-carboxylate
ethyl 3,5-dimethyl-4-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G793-0028 |
| Compound Name: | ethyl 3,5-dimethyl-4-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 451.49 |
| Molecular Formula: | C23 H28 F3 N3 O3 |
| Smiles: | CCOC(c1c(C)c(CCC(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9934 |
| logD: | 3.9934 |
| logSw: | -4.1045 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.355 |
| InChI Key: | UFYUOXBCTOQFHJ-UHFFFAOYSA-N |