ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-methyl-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-{[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 6703-3138 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 400.42 |
| Molecular Formula: | C16 H16 N8 O3 S |
| Smiles: | CCOC(c1c(CSc2nc3cc(C)ccc3[nH]2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2647 |
| logD: | 2.2594 |
| logSw: | -2.7569 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.335 |
| InChI Key: | NGCKJYXZLKEAPN-UHFFFAOYSA-N |