ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(6-ethoxy-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-{[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
Compound ID: | 6703-3925 |
Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
Molecular Weight: | 430.44 |
Molecular Formula: | C17 H18 N8 O4 S |
Smiles: | CCOC(c1c(CSc2nc3ccc(cc3[nH]2)OCC)n(c2c(N)non2)nn1)=O |
Stereo: | ACHIRAL |
logP: | 2.3601 |
logD: | 2.0692 |
logSw: | -2.8731 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 128.458 |
InChI Key: | LJZFOUIPWMKKCD-UHFFFAOYSA-N |