2-{[5-(4,5-dimethylthiophen-3-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[5-(4,5-dimethylthiophen-3-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[5-(4,5-dimethylthiophen-3-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-9876 |
| Compound Name: | 2-{[5-(4,5-dimethylthiophen-3-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 310.44 |
| Molecular Formula: | C13 H18 N4 O S2 |
| Smiles: | CCCn1c(c2csc(C)c2C)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3951 |
| logD: | 2.3949 |
| logSw: | -2.2848 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.897 |
| InChI Key: | MAQQOKQGXWZOTG-UHFFFAOYSA-N |