5-[4-(2,5-dimethylphenyl)-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole
Chemical Structure Depiction of
5-[4-(2,5-dimethylphenyl)-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole
5-[4-(2,5-dimethylphenyl)-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole
Compound characteristics
| Compound ID: | E634-0436 |
| Compound Name: | 5-[4-(2,5-dimethylphenyl)-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole |
| Molecular Weight: | 458.65 |
| Molecular Formula: | C26 H26 N4 S2 |
| Smiles: | Cc1ccc(C)c(CSc2nnc(c3cc4c(ccs4)n3C)n2c2cc(C)ccc2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.4125 |
| logD: | 7.4125 |
| logSw: | -5.7446 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.9656 |
| InChI Key: | BTYAQXFEEWMKPJ-UHFFFAOYSA-N |