N-(2H-1,3-benzodioxol-5-yl)-2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | L850-0240 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C22 H20 N6 O4 S |
| Smiles: | CCn1c(c2nc(c3cccc(C)c3)no2)nnc1SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3055 |
| logD: | 4.3054 |
| logSw: | -4.3094 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.908 |
| InChI Key: | OKDCSSFGFKAFFP-UHFFFAOYSA-N |