N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-{3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanamide
Chemical Structure Depiction of
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-{3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-{3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanamide
Compound characteristics
| Compound ID: | F506-0577 |
| Compound Name: | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-{3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanamide |
| Molecular Weight: | 472.46 |
| Molecular Formula: | C19 H17 F N8 O4 S |
| Smiles: | CCc1nnc(NC(CCc2nc(C3C(N(C)C(N(c4ccc(cc4)F)N=3)=O)=O)no2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.4062 |
| logD: | 2.3194 |
| logSw: | -2.9376 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.543 |
| InChI Key: | CTXUMBNPJMKDOF-UHFFFAOYSA-N |