3,5-dioxo-N-[2-(pyridin-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
3,5-dioxo-N-[2-(pyridin-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
3,5-dioxo-N-[2-(pyridin-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V003-8481 |
| Compound Name: | 3,5-dioxo-N-[2-(pyridin-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 563.46 |
| Molecular Formula: | C26 H19 F6 N5 O3 |
| Salt: | not_available |
| Smiles: | C(CNC(C1C(N(Cc2ccc(cc2)C(F)(F)F)C(N(c2ccc(cc2)C(F)(F)F)N=1)=O)=O)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 4.4213 |
| logD: | 4.4206 |
| logSw: | -4.406 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.043 |
| InChI Key: | REFAYJFMDLYPMC-UHFFFAOYSA-N |