N-{2-[benzyl(methyl)amino]ethyl}-3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
N-{2-[benzyl(methyl)amino]ethyl}-3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | F486-0951 |
| Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C25 H27 N7 O4 |
| Smiles: | CCN1C(C(c2nc(C(NCCN(C)Cc3ccccc3)=O)on2)=NN(C1=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.687 |
| logD: | 2.1106 |
| logSw: | -3.0057 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.268 |
| InChI Key: | XGOXVYVUPPZZFS-UHFFFAOYSA-N |