methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(6-ethoxy-1,3-benzothiazol-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-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 3577-0173 |
| Compound Name: | methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 433.47 |
| Molecular Formula: | C16 H15 N7 O4 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)SCc1c(C(=O)OC)nnn1c1c(N)non1 |
| Stereo: | ACHIRAL |
| logP: | 3.2449 |
| logD: | 3.2449 |
| logSw: | -3.4623 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.947 |
| InChI Key: | LAIFJAOHPWMSAB-UHFFFAOYSA-N |