3-{3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(3-methylbutyl)propanamide
Chemical Structure Depiction of
3-{3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(3-methylbutyl)propanamide
3-{3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(3-methylbutyl)propanamide
Compound characteristics
| Compound ID: | F506-0675 |
| Compound Name: | 3-{3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(3-methylbutyl)propanamide |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C22 H28 N6 O4 |
| Smiles: | CCN1C(C(c2nc(CCC(NCCC(C)C)=O)on2)=NN(C1=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9956 |
| logD: | 2.9956 |
| logSw: | -3.3042 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.897 |
| InChI Key: | IYHUXBSYLQLYKK-UHFFFAOYSA-N |