ethyl [(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
ethyl [(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | C663-0731 |
| Compound Name: | ethyl [(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C19 H21 N5 O2 S2 |
| Smiles: | CCOC(CSc1nnc(CSc2nc(C)cc(C)n2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0397 |
| logD: | 3.0394 |
| logSw: | -3.0986 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.025 |
| InChI Key: | ASAQZTLROYPUHR-UHFFFAOYSA-N |