1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-methyl-1H-benzimidazol-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-{[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | 6703-2343 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 372.36 |
| Molecular Formula: | C14 H12 N8 O3 S |
| Smiles: | Cc1ccc2c(c1)nc([nH]2)SCc1c(C(O)=O)nnn1c1c(N)non1 |
| Stereo: | ACHIRAL |
| logP: | 1.1801 |
| logD: | -4.838 |
| logSw: | -2.0862 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 128.989 |
| InChI Key: | QPYIOXYSFMUBPH-UHFFFAOYSA-N |