ethyl 4-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,4-dihydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,4-dihydropyrimidine-5-carboxylate
ethyl 4-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,4-dihydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D718-0238 |
| Compound Name: | ethyl 4-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,4-dihydropyrimidine-5-carboxylate |
| Molecular Weight: | 396.37 |
| Molecular Formula: | C18 H19 F3 N4 O3 |
| Smiles: | CCOC(C1=CNC(=NC1=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3556 |
| logD: | 0.0108 |
| logSw: | -2.8456 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.86 |
| InChI Key: | LRELBQHCTFTBQF-UHFFFAOYSA-N |