ethyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C663-0729 |
| Compound Name: | ethyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C21 H25 N5 O2 S2 |
| Smiles: | CCOC(CSc1nnc(CSc2nc(C)cc(C)n2)n1CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5166 |
| logD: | 3.5161 |
| logSw: | -3.5597 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.26 |
| InChI Key: | XOODSZJVYNIGDP-UHFFFAOYSA-N |