3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | F486-0748 |
| Compound Name: | 3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 436.4 |
| Molecular Formula: | C21 H17 F N6 O4 |
| Smiles: | Cc1ccc(CNC(c2nc(C3C(N(C)C(N(c4ccc(cc4)F)N=3)=O)=O)no2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7929 |
| logD: | 2.7925 |
| logSw: | -3.3252 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.373 |
| InChI Key: | JNBLLZQSDMPBJK-UHFFFAOYSA-N |