N-benzyl-2-(3-chloro-4-methylphenyl)-N-methyl-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-2-(3-chloro-4-methylphenyl)-N-methyl-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-benzyl-2-(3-chloro-4-methylphenyl)-N-methyl-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V022-1872 |
| Compound Name: | N-benzyl-2-(3-chloro-4-methylphenyl)-N-methyl-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 542.94 |
| Molecular Formula: | C27 H22 Cl F3 N4 O3 |
| Smiles: | Cc1ccc(cc1[Cl])N1C(N(Cc2ccc(cc2)C(F)(F)F)C(C(C(N(C)Cc2ccccc2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1073 |
| logD: | 6.1073 |
| logSw: | -6.169 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.395 |
| InChI Key: | MAODWIXUEDWDDE-UHFFFAOYSA-N |