ethyl 1-[3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperidine-4-carboxylate
ethyl 1-[3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V004-0086 |
| Compound Name: | ethyl 1-[3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperidine-4-carboxylate |
| Molecular Weight: | 466.46 |
| Molecular Formula: | C22 H25 F3 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(CCC1C(N=C(Cc2cccc(c2)C(F)(F)F)NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3739 |
| logD: | 2.1925 |
| logSw: | -2.7464 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.464 |
| InChI Key: | SICJSWLCFKGJPL-UHFFFAOYSA-N |