N-benzyl-N-methyl-2-(4-methylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-benzyl-N-methyl-2-(4-methylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-benzyl-N-methyl-2-(4-methylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V023-5620 |
| Compound Name: | N-benzyl-N-methyl-2-(4-methylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 508.5 |
| Molecular Formula: | C27 H23 F3 N4 O3 |
| Smiles: | Cc1ccc(cc1)N1C(N(Cc2ccc(cc2)C(F)(F)F)C(C(C(N(C)Cc2ccccc2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2711 |
| logD: | 5.2711 |
| logSw: | -5.2073 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.395 |
| InChI Key: | CWLKLZMMAVQJBS-UHFFFAOYSA-N |