3,5-dioxo-N-[(oxolan-2-yl)methyl]-2-phenyl-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
3,5-dioxo-N-[(oxolan-2-yl)methyl]-2-phenyl-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
3,5-dioxo-N-[(oxolan-2-yl)methyl]-2-phenyl-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V027-4268 |
| Compound Name: | 3,5-dioxo-N-[(oxolan-2-yl)methyl]-2-phenyl-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 474.44 |
| Molecular Formula: | C23 H21 F3 N4 O4 |
| Salt: | not_available |
| Smiles: | C1CC(CNC(C2C(N(Cc3cccc(c3)C(F)(F)F)C(N(c3ccccc3)N=2)=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8361 |
| logD: | 2.8352 |
| logSw: | -3.4771 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.313 |
| InChI Key: | JJIKVTZJBQWHGQ-GOSISDBHSA-N |