1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | 8538-0149 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 348.34 |
| Molecular Formula: | C12 H12 N8 O3 S |
| Smiles: | Cc1cc(C)nc(n1)SCc1c(C(O)=O)nnn1c1c(N)non1 |
| Stereo: | ACHIRAL |
| logP: | 0.4574 |
| logD: | -5.5607 |
| logSw: | -1.314 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 127.882 |
| InChI Key: | WPPRLKZAMJWHLF-UHFFFAOYSA-N |