2-{[4-(2,5-dimethylphenyl)-5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[4-(2,5-dimethylphenyl)-5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
2-{[4-(2,5-dimethylphenyl)-5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | E634-0451 |
| Compound Name: | 2-{[4-(2,5-dimethylphenyl)-5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C25 H22 F N5 O S2 |
| Smiles: | Cc1ccc(C)c(c1)n1c(c2cc3c(ccs3)n2C)nnc1SCC(Nc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.363 |
| logD: | 5.3629 |
| logSw: | -5.2947 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.417 |
| InChI Key: | MBEFNGWTQLGZJN-UHFFFAOYSA-N |