2-(4-methylphenyl)-3,5-dioxo-N-[2-(pyridin-2-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(4-methylphenyl)-3,5-dioxo-N-[2-(pyridin-2-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(4-methylphenyl)-3,5-dioxo-N-[2-(pyridin-2-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V023-8669 |
| Compound Name: | 2-(4-methylphenyl)-3,5-dioxo-N-[2-(pyridin-2-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 509.49 |
| Molecular Formula: | C26 H22 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)N1C(N(Cc2ccc(cc2)C(F)(F)F)C(C(C(NCCc2ccccn2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.972 |
| logD: | 3.9712 |
| logSw: | -4.0418 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.043 |
| InChI Key: | ROANXYWVXTYDMM-UHFFFAOYSA-N |