3-{3-[2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(3,5-dimethylphenyl)propanamide
Chemical Structure Depiction of
3-{3-[2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(3,5-dimethylphenyl)propanamide
3-{3-[2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(3,5-dimethylphenyl)propanamide
Compound characteristics
| Compound ID: | F506-1096 |
| Compound Name: | 3-{3-[2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(3,5-dimethylphenyl)propanamide |
| Molecular Weight: | 494.94 |
| Molecular Formula: | C24 H23 Cl N6 O4 |
| Smiles: | CCN1C(C(c2nc(CCC(Nc3cc(C)cc(C)c3)=O)on2)=NN(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2921 |
| logD: | 4.2921 |
| logSw: | -4.4943 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.462 |
| InChI Key: | UNVPYCTUUFKYCZ-UHFFFAOYSA-N |