3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-ethyl-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-ethyl-4-methyl-4H-1,2,4-triazole
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-ethyl-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-1075 |
| Compound Name: | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-ethyl-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 302.22 |
| Molecular Formula: | C12 H13 Cl2 N3 S |
| Smiles: | CCc1nnc(n1C)SCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7279 |
| logD: | 3.7277 |
| logSw: | -3.8859 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.2985 |
| InChI Key: | JTRCPELXTNEMCN-UHFFFAOYSA-N |