1-(2,6-dimethylpiperidin-1-yl)-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,6-dimethylpiperidin-1-yl)-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,6-dimethylpiperidin-1-yl)-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | F019-0310 |
| Compound Name: | 1-(2,6-dimethylpiperidin-1-yl)-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C25 H30 N4 O2 S |
| Smiles: | CCOc1ccc(cc1)n1c(c2ccccc2)nnc1SCC(N1C(C)CCCC1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8726 |
| logD: | 4.8726 |
| logSw: | -4.4463 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.452 |
| InChI Key: | XDGSRNRKVVBFTR-UHFFFAOYSA-N |