methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(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-{[(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-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8008-3936 |
| Compound Name: | methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C14 H11 N7 O3 S2 |
| Smiles: | COC(c1c(CSc2nc3ccccc3s2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8008 |
| logD: | 2.8008 |
| logSw: | -3.0217 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.823 |
| InChI Key: | ZKGKCBNHBDJDRP-UHFFFAOYSA-N |