ethyl 1-[2-(3,4-dimethoxyphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(3,4-dimethoxyphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-4-carboxylate
ethyl 1-[2-(3,4-dimethoxyphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V021-9198 |
| Compound Name: | ethyl 1-[2-(3,4-dimethoxyphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-4-carboxylate |
| Molecular Weight: | 590.56 |
| Molecular Formula: | C28 H29 F3 N4 O7 |
| Smiles: | CCOC(C1CCN(CC1)C(C1C(N(Cc2cccc(c2)C(F)(F)F)C(N(c2ccc(c(c2)OC)OC)N=1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5689 |
| logD: | 3.5689 |
| logSw: | -3.673 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.908 |
| InChI Key: | RMYUFFCDAIAONN-UHFFFAOYSA-N |