ethyl 5-{[(2-hydroxyethyl)sulfanyl]methyl}-1-(4-phenyl-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-{[(2-hydroxyethyl)sulfanyl]methyl}-1-(4-phenyl-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carboxylate
ethyl 5-{[(2-hydroxyethyl)sulfanyl]methyl}-1-(4-phenyl-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8018-0809 |
| Compound Name: | ethyl 5-{[(2-hydroxyethyl)sulfanyl]methyl}-1-(4-phenyl-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 375.4 |
| Molecular Formula: | C16 H17 N5 O4 S |
| Smiles: | CCOC(c1c(CSCCO)n(c2c(c3ccccc3)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.567 |
| logD: | 2.567 |
| logSw: | -2.4529 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.051 |
| InChI Key: | FSKIZFLQMWFPTL-UHFFFAOYSA-N |