2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)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-(2-methylphenyl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D291-0313 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C21 H19 N7 O3 S |
| Smiles: | CC(Nc1c(c2nnc(n2c2ccccc2)SCC(Nc2ccccc2C)=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6685 |
| logD: | 2.6681 |
| logSw: | -2.939 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.454 |
| InChI Key: | XAPFUHIWNPDHDG-UHFFFAOYSA-N |