methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 3577-0182 |
| Compound Name: | methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 417.36 |
| Molecular Formula: | C14 H11 N9 O5 S |
| Smiles: | COC(c1c(CSc2nc3cc(ccc3[nH]2)[N+]([O-])=O)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5048 |
| logD: | 0.8442 |
| logSw: | -2.5323 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 155.136 |
| InChI Key: | MWJQCSJWRJDWAX-UHFFFAOYSA-N |