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-[(4-ethylphenyl)methyl]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-[(4-ethylphenyl)methyl]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-[(4-ethylphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | F506-1062 |
| 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-[(4-ethylphenyl)methyl]propanamide |
| Molecular Weight: | 508.96 |
| Molecular Formula: | C25 H25 Cl N6 O4 |
| Smiles: | CCc1ccc(CNC(CCc2nc(C3C(N(CC)C(N(c4ccc(cc4)[Cl])N=3)=O)=O)no2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.23 |
| logD: | 4.23 |
| logSw: | -4.4103 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.784 |
| InChI Key: | FGDAWMQGKDRWLB-UHFFFAOYSA-N |