ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8012-4445 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C22 H30 N6 O4 S |
| Smiles: | CCOC(c1c(CSc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7157 |
| logD: | 4.7157 |
| logSw: | -4.4976 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 118.801 |
| InChI Key: | NUHSPBXSSKBXJO-UHFFFAOYSA-N |