N-(2H-1,3-benzodioxol-5-yl)-2-({4-methyl-5-[3-(4-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-methyl-5-[3-(4-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-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | L850-1580 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C21 H18 N6 O4 S |
| Smiles: | Cc1ccc(cc1)c1nc(c2nnc(n2C)SCC(Nc2ccc3c(c2)OCO3)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.745 |
| logD: | 3.745 |
| logSw: | -3.8777 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.993 |
| InChI Key: | KHWLKAJRHJAQKN-UHFFFAOYSA-N |