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-methyl-N-phenylacetamide
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-methyl-N-phenylacetamide
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-methyl-N-phenylacetamide
Compound characteristics
| Compound ID: | E634-0433 |
| 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-methyl-N-phenylacetamide |
| Molecular Weight: | 487.65 |
| Molecular Formula: | C26 H25 N5 O S2 |
| Smiles: | Cc1ccc(C)c(c1)n1c(c2cc3c(ccs3)n2C)nnc1SCC(N(C)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0246 |
| logD: | 5.0245 |
| logSw: | -4.6649 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.079 |
| InChI Key: | RPXTUPITXABGMG-UHFFFAOYSA-N |