ethyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C663-0737 |
| Compound Name: | ethyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C20 H23 N5 O3 S2 |
| Smiles: | CCOC(CSc1nnc(CSc2nc(C)cc(C)n2)n1c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1436 |
| logD: | 3.1433 |
| logSw: | -3.2491 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.569 |
| InChI Key: | GMSSAQPWZJZQRJ-UHFFFAOYSA-N |