1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1-methyl-1H-imidazol-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-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | 8538-0155 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 322.3 |
| Molecular Formula: | C10 H10 N8 O3 S |
| Smiles: | Cn1ccnc1SCc1c(C(O)=O)nnn1c1c(N)non1 |
| Stereo: | ACHIRAL |
| logP: | -0.3664 |
| logD: | -6.3846 |
| logSw: | -1.0295 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.895 |
| InChI Key: | BDMCZCFRGLVJKV-UHFFFAOYSA-N |