N-(3-fluoro-4-methylphenyl)-2-{[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-fluoro-4-methylphenyl)-2-{[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-fluoro-4-methylphenyl)-2-{[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C794-1132 |
| Compound Name: | N-(3-fluoro-4-methylphenyl)-2-{[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 519.66 |
| Molecular Formula: | C27 H26 F N5 O S2 |
| Smiles: | Cc1cc(C)c(c(C)c1)n1c(c2cc3c(ccs3)n2C)nnc1SCC(Nc1ccc(C)c(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0828 |
| logD: | 7.0826 |
| logSw: | -5.5605 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.814 |
| InChI Key: | RJUPWGNDYZEZEW-UHFFFAOYSA-N |