2-(3,4-dimethoxyphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(3,4-dimethoxyphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V008-4371 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 534.49 |
| Molecular Formula: | C25 H25 F3 N4 O6 |
| Smiles: | COc1ccc(cc1OC)N1C(N(Cc2cccc(c2)C(F)(F)F)C(C(C(NCC2CCCO2)=O)=N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6201 |
| logD: | 2.6192 |
| logSw: | -3.0888 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.573 |
| InChI Key: | AREDEJCXDXVGNN-GOSISDBHSA-N |