N-(2-cyanophenyl)-3-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanamide
Chemical Structure Depiction of
N-(2-cyanophenyl)-3-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanamide
N-(2-cyanophenyl)-3-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanamide
Compound characteristics
| Compound ID: | F506-0852 |
| Compound Name: | N-(2-cyanophenyl)-3-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanamide |
| Molecular Weight: | 457.45 |
| Molecular Formula: | C23 H19 N7 O4 |
| Smiles: | Cc1ccc(cc1)N1C(N(C)C(C(c2nc(CCC(Nc3ccccc3C#N)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6264 |
| logD: | 2.6246 |
| logSw: | -3.445 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.861 |
| InChI Key: | IXKVUCZFOMXIEY-UHFFFAOYSA-N |