5-[4-(2,5-dimethylphenyl)-5-{[(3-methoxyphenyl)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-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole
5-[4-(2,5-dimethylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole
Compound characteristics
| Compound ID: | E634-0444 |
| Compound Name: | 5-[4-(2,5-dimethylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole |
| Molecular Weight: | 460.62 |
| Molecular Formula: | C25 H24 N4 O S2 |
| Smiles: | Cc1ccc(C)c(c1)n1c(c2cc3c(ccs3)n2C)nnc1SCc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.2404 |
| logD: | 6.2403 |
| logSw: | -5.633 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.509 |
| InChI Key: | YADLKKIUEVMNFL-UHFFFAOYSA-N |