4-({[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | E634-0251 |
| Compound Name: | 4-({[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 469.63 |
| Molecular Formula: | C26 H23 N5 S2 |
| Smiles: | Cc1cc(C)c(c(C)c1)n1c(c2cc3c(ccs3)n2C)nnc1SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.412 |
| logD: | 6.412 |
| logSw: | -5.805 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.721 |
| InChI Key: | PYLXDUMQILSYJQ-UHFFFAOYSA-N |