3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | F486-0553 |
| Compound Name: | 3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 464.46 |
| Molecular Formula: | C23 H21 F N6 O4 |
| Smiles: | CCc1ccc(CNC(c2nc(C3C(N(CC)C(N(c4ccc(cc4)F)N=3)=O)=O)no2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5187 |
| logD: | 3.5183 |
| logSw: | -3.5649 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.332 |
| InChI Key: | WNYYYCNQPUXPSB-UHFFFAOYSA-N |