2-(3,4-dimethylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(3,4-dimethylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V002-4272 |
| Compound Name: | 2-(3,4-dimethylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 502.49 |
| Molecular Formula: | C25 H25 F3 N4 O4 |
| Smiles: | Cc1ccc(cc1C)N1C(N(Cc2ccc(cc2)C(F)(F)F)C(C(C(NCC2CCCO2)=O)=N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2109 |
| logD: | 4.21 |
| logSw: | -4.2406 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.313 |
| InChI Key: | HMDPNZQWLHORCL-HXUWFJFHSA-N |