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}-N-[2-(4-methylphenyl)ethyl]propanamide
Chemical Structure Depiction of
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}-N-[2-(4-methylphenyl)ethyl]propanamide
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}-N-[2-(4-methylphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | F506-0861 |
| Compound Name: | 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}-N-[2-(4-methylphenyl)ethyl]propanamide |
| Molecular Weight: | 474.52 |
| Molecular Formula: | C25 H26 N6 O4 |
| Smiles: | Cc1ccc(CCNC(CCc2nc(C3C(N(C)C(N(c4ccc(C)cc4)N=3)=O)=O)no2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1076 |
| logD: | 3.1076 |
| logSw: | -3.3396 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.667 |
| InChI Key: | GQEMZKXHLHHZQT-UHFFFAOYSA-N |