2-(3,4-dimethylphenyl)-N-(3-fluorophenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-N-(3-fluorophenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(3,4-dimethylphenyl)-N-(3-fluorophenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V023-9268 |
| Compound Name: | 2-(3,4-dimethylphenyl)-N-(3-fluorophenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 512.46 |
| Molecular Formula: | C26 H20 F4 N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)N1C(N(Cc2ccc(cc2)C(F)(F)F)C(C(C(Nc2cccc(c2)F)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1907 |
| logD: | 5.2486 |
| logSw: | -5.4837 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.336 |
| InChI Key: | YSLJYHUMFSXPSK-UHFFFAOYSA-N |