methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 6703-1500 |
| Compound Name: | methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 334.31 |
| Molecular Formula: | C11 H10 N8 O3 S |
| Smiles: | COC(c1c(CSc2ncccn2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.44 |
| logD: | 0.44 |
| logSw: | -1.3183 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.899 |
| InChI Key: | PGWGYXJNNMRXJG-UHFFFAOYSA-N |