ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1-methyl-1H-imidazol-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-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8008-0801 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 350.36 |
| Molecular Formula: | C12 H14 N8 O3 S |
| Smiles: | CCOC(c1c(CSc2nccn2C)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7182 |
| logD: | 0.5167 |
| logSw: | -1.4472 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.24 |
| InChI Key: | SPDPEGWCMSBUTE-UHFFFAOYSA-N |