2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-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-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-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-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | L850-0125 |
| Compound Name: | 2-({4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one |
| Molecular Weight: | 492.56 |
| Molecular Formula: | C24 H24 N6 O4 S |
| Smiles: | CCn1c(c2nc(c3ccc(cc3)OC)no2)nnc1SCC(N1CCOc2ccc(C)cc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3333 |
| logD: | 4.3333 |
| logSw: | -4.348 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.195 |
| InChI Key: | XJVYFSREYXKWQG-UHFFFAOYSA-N |