2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cycloheptylacetamide
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-cycloheptylacetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cycloheptylacetamide
Compound characteristics
| Compound ID: | D291-0353 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cycloheptylacetamide |
| Molecular Weight: | 455.54 |
| Molecular Formula: | C21 H25 N7 O3 S |
| Smiles: | CC(Nc1c(c2nnc(n2c2ccccc2)SCC(NC2CCCCCC2)=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2655 |
| logD: | 3.265 |
| logSw: | -3.4875 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.53 |
| InChI Key: | RXMAOUNDOZIRQM-UHFFFAOYSA-N |