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-(4-methyl-1,3-thiazol-2-yl)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-(4-methyl-1,3-thiazol-2-yl)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-(4-methyl-1,3-thiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | F506-0848 |
| 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-(4-methyl-1,3-thiazol-2-yl)propanamide |
| Molecular Weight: | 453.48 |
| Molecular Formula: | C20 H19 N7 O4 S |
| Smiles: | Cc1ccc(cc1)N1C(N(C)C(C(c2nc(CCC(Nc3nc(C)cs3)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7683 |
| logD: | 2.7566 |
| logSw: | -3.261 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.356 |
| InChI Key: | QSPNEGFPHHXNJI-UHFFFAOYSA-N |