ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1H-benzimidazol-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-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8008-0800 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 386.39 |
| Molecular Formula: | C15 H14 N8 O3 S |
| Smiles: | CCOC(c1c(CSc2nc3ccccc3[nH]2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.805 |
| logD: | 1.7962 |
| logSw: | -2.3226 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.335 |
| InChI Key: | AVUCJBDIBMEUTQ-UHFFFAOYSA-N |