2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | D291-0323 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C21 H19 N7 O4 S |
| Smiles: | CC(Nc1c(c2nnc(n2c2ccccc2)SCC(Nc2ccc(cc2)OC)=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.856 |
| logD: | 2.8556 |
| logSw: | -3.4865 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.696 |
| InChI Key: | DLACAUCGUMQIEJ-UHFFFAOYSA-N |