methyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C663-0728 |
| Compound Name: | methyl {[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C20 H23 N5 O2 S2 |
| Smiles: | Cc1cc(C)nc(n1)SCc1nnc(n1CCc1ccccc1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9255 |
| logD: | 2.925 |
| logSw: | -3.1846 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.68 |
| InChI Key: | PWDBZRYYSSFJKT-UHFFFAOYSA-N |