ethyl 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
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
ethyl 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: | 6703-1782 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 348.34 |
| Molecular Formula: | C12 H12 N8 O3 S |
| Smiles: | CCOC(c1c(CSc2ncccn2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.79 |
| logD: | 0.79 |
| logSw: | -1.4517 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.479 |
| InChI Key: | MVSCHBSLRXVTPF-UHFFFAOYSA-N |