N-[4-(4-methyl-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Chemical Structure Depiction of
N-[4-(4-methyl-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
N-[4-(4-methyl-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Compound characteristics
| Compound ID: | D291-0146 |
| Compound Name: | N-[4-(4-methyl-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C15 H16 N6 O2 S |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCc2ccccc2C)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8248 |
| logD: | 2.82 |
| logSw: | -3.1632 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.341 |
| InChI Key: | WBROQYFDFNCOPN-UHFFFAOYSA-N |