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-(3,4-dimethylphenyl)-N-methylpropanamide
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-(3,4-dimethylphenyl)-N-methylpropanamide
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-(3,4-dimethylphenyl)-N-methylpropanamide
Compound characteristics
| Compound ID: | F506-1043 |
| 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-(3,4-dimethylphenyl)-N-methylpropanamide |
| Molecular Weight: | 508.96 |
| Molecular Formula: | C25 H25 Cl N6 O4 |
| Smiles: | CCN1C(C(c2nc(CCC(N(C)c3ccc(C)c(C)c3)=O)on2)=NN(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5349 |
| logD: | 4.5349 |
| logSw: | -4.6031 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.426 |
| InChI Key: | IBTIWDNLFKSEPR-UHFFFAOYSA-N |