2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | L850-0037 |
| Compound Name: | 2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 454.48 |
| Molecular Formula: | C21 H19 F N6 O3 S |
| Smiles: | CCn1c(c2nc(c3ccc(cc3)OC)no2)nnc1SCC(Nc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2388 |
| logD: | 4.2387 |
| logSw: | -4.2646 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.336 |
| InChI Key: | NRBITDXYNLPZMC-UHFFFAOYSA-N |