5-[5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole
Chemical Structure Depiction of
5-[5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole
5-[5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole
Compound characteristics
| Compound ID: | E634-0461 |
| Compound Name: | 5-[5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole |
| Molecular Weight: | 483.03 |
| Molecular Formula: | C24 H20 Cl F N4 S2 |
| Smiles: | Cc1ccc(C)c(c1)n1c(c2cc3c(ccs3)n2C)nnc1SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 7.0846 |
| logD: | 7.0846 |
| logSw: | -6.6436 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.9656 |
| InChI Key: | IRNUPOQOPRKDHO-UHFFFAOYSA-N |