methyl [(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
methyl [(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | C663-0697 |
| Compound Name: | methyl [(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C16 H15 N5 O2 S2 |
| Smiles: | COC(CSc1nnc(CSc2ncccn2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6965 |
| logD: | 1.6962 |
| logSw: | -2.0789 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.697 |
| InChI Key: | FAISSLDOMQGCCW-UHFFFAOYSA-N |