ethyl 4-[3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate
ethyl 4-[3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | V004-2741 |
| Compound Name: | ethyl 4-[3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 467.45 |
| Molecular Formula: | C21 H24 F3 N5 O4 |
| Smiles: | CCOC(N1CCN(CC1)C(CCC1C(N=C(Cc2cccc(c2)C(F)(F)F)NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.999 |
| logD: | 1.8177 |
| logSw: | -2.4691 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.49 |
| InChI Key: | JKZKZBZPNKTWJK-UHFFFAOYSA-N |