ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
Compound ID: | 6703-2057 |
Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
Molecular Weight: | 360.39 |
Molecular Formula: | C15 H16 N6 O3 S |
Smiles: | CCOC(c1c(CSc2ccc(C)cc2)n(c2c(N)non2)nn1)=O |
Stereo: | ACHIRAL |
logP: | 2.882 |
logD: | 2.882 |
logSw: | -3.0619 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 103.321 |
InChI Key: | YABICWGRDOCOPQ-UHFFFAOYSA-N |