ethyl 4-[2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
ethyl 4-[2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | L850-1362 |
| Compound Name: | ethyl 4-[2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 482.49 |
| Molecular Formula: | C22 H19 F N6 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(c2nc(c3ccc(cc3)F)no2)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.119 |
| logD: | 4.1189 |
| logSw: | -4.0526 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.631 |
| InChI Key: | AQOPNYAFBLQGCB-UHFFFAOYSA-N |