5-[5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole
Chemical Structure Depiction of
5-[5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole
5-[5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole
Compound characteristics
| Compound ID: | E634-0246 |
| Compound Name: | 5-[5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C25 H23 F N4 S2 |
| Smiles: | Cc1cc(C)c(c(C)c1)n1c(c2cc3c(ccs3)n2C)nnc1SCc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 7.1573 |
| logD: | 7.1573 |
| logSw: | -5.8725 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.6646 |
| InChI Key: | HNHFGCFLMAUXDJ-UHFFFAOYSA-N |