5-[4-(2,5-dimethylphenyl)-5-{[(4-ethenylphenyl)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-{[(4-ethenylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole
5-[4-(2,5-dimethylphenyl)-5-{[(4-ethenylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole
Compound characteristics
| Compound ID: | E634-0446 |
| Compound Name: | 5-[4-(2,5-dimethylphenyl)-5-{[(4-ethenylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole |
| Molecular Weight: | 456.63 |
| Molecular Formula: | C26 H24 N4 S2 |
| Smiles: | Cc1ccc(C)c(c1)n1c(c2cc3c(ccs3)n2C)nnc1SCc1ccc(C=C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5018 |
| logD: | 6.5018 |
| logSw: | -5.7861 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.9656 |
| InChI Key: | YKIOOSUAXNSUIF-UHFFFAOYSA-N |