1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)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-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | 6703-1468 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 332.34 |
| Molecular Formula: | C13 H12 N6 O3 S |
| Smiles: | Cc1ccc(cc1)SCc1c(C(O)=O)nnn1c1c(N)non1 |
| Stereo: | ACHIRAL |
| logP: | 1.7974 |
| logD: | -4.2208 |
| logSw: | -2.279 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.976 |
| InChI Key: | SHSGEAOHDYRTMI-UHFFFAOYSA-N |