ethyl 3,5-dimethyl-4-{3-oxo-3-[(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)amino]propyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3,5-dimethyl-4-{3-oxo-3-[(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)amino]propyl}-1H-pyrrole-2-carboxylate
ethyl 3,5-dimethyl-4-{3-oxo-3-[(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)amino]propyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G793-0312 |
| Compound Name: | ethyl 3,5-dimethyl-4-{3-oxo-3-[(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)amino]propyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 494.56 |
| Molecular Formula: | C25 H33 F3 N4 O3 |
| Smiles: | CCOC(c1c(C)c(CCC(NCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4093 |
| logD: | 3.2856 |
| logSw: | -3.7681 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.258 |
| InChI Key: | PEUSDTVYYGTAFE-UHFFFAOYSA-N |