3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazole
3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-4207 |
| Compound Name: | 3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-(4,5-dimethylthiophen-3-yl)-4-ethyl-4H-1,2,4-triazole |
| Molecular Weight: | 398.37 |
| Molecular Formula: | C17 H17 Cl2 N3 S2 |
| Smiles: | CCn1c(c2csc(C)c2C)nnc1SCc1c(cccc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.9831 |
| logD: | 5.977 |
| logSw: | -6.3038 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.9838 |
| InChI Key: | SKXRXAPGSOLQLR-UHFFFAOYSA-N |