N-[(2,5-dimethoxyphenyl)methyl]-3-[4-ethyl-2-(4-fluorophenyl)-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-[(2,5-dimethoxyphenyl)methyl]-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
N-[(2,5-dimethoxyphenyl)methyl]-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | F486-0556 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 496.45 |
| Molecular Formula: | C23 H21 F N6 O6 |
| Smiles: | CCN1C(C(c2nc(C(NCc3cc(ccc3OC)OC)=O)on2)=NN(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7881 |
| logD: | 2.788 |
| logSw: | -3.3521 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.506 |
| InChI Key: | UNBZYBZPCSIOMP-UHFFFAOYSA-N |