4-({[4-(2,5-dimethylphenyl)-5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[4-(2,5-dimethylphenyl)-5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[4-(2,5-dimethylphenyl)-5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | E634-0440 |
| Compound Name: | 4-({[4-(2,5-dimethylphenyl)-5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C25 H21 N5 S2 |
| Smiles: | Cc1ccc(C)c(c1)n1c(c2cc3c(ccs3)n2C)nnc1SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5618 |
| logD: | 5.5618 |
| logSw: | -5.4263 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 44.022 |
| InChI Key: | CEJGHZCYYXDOHO-UHFFFAOYSA-N |