N-[(2H-1,3-benzodioxol-5-yl)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-[(2H-1,3-benzodioxol-5-yl)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-[(2H-1,3-benzodioxol-5-yl)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: | F486-0534 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)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: | 480.41 |
| Molecular Formula: | C22 H17 F N6 O6 |
| Smiles: | CCN1C(C(c2nc(C(NCc3ccc4c(c3)OCO4)=O)on2)=NN(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5011 |
| logD: | 2.5011 |
| logSw: | -2.9954 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.447 |
| InChI Key: | QZYBXFNKJPMZFB-UHFFFAOYSA-N |