2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
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)-1-(pyrrolidin-1-yl)ethan-1-one
2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | L850-0004 |
| Compound Name: | 2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C19 H22 N6 O3 S |
| Smiles: | CCn1c(c2nc(c3ccc(cc3)OC)no2)nnc1SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1293 |
| logD: | 3.1293 |
| logSw: | -3.1473 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.945 |
| InChI Key: | KUBMYMKPXXKKRZ-UHFFFAOYSA-N |