2-(3-chloro-4-methylphenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(3-chloro-4-methylphenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(3-chloro-4-methylphenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V022-1842 |
| Compound Name: | 2-(3-chloro-4-methylphenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 529.91 |
| Molecular Formula: | C25 H19 Cl F3 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[Cl])N1C(N(Cc2ccc(cc2)C(F)(F)F)C(C(C(NCc2cccnc2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5549 |
| logD: | 4.5525 |
| logSw: | -4.6425 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.176 |
| InChI Key: | RPUGPOUQUJVGTG-UHFFFAOYSA-N |