3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N-[(pyridin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N-[(pyridin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N-[(pyridin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | F486-0051 |
| Compound Name: | 3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N-[(pyridin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 419.4 |
| Molecular Formula: | C20 H17 N7 O4 |
| Smiles: | [H]c1ccc(cc1)N1C(N(CC)C(C(c2nc(C(NCc3ccccn3)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5276 |
| logD: | 1.5262 |
| logSw: | -1.9536 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.875 |
| InChI Key: | MSEGHVTXRHJAQW-UHFFFAOYSA-N |