ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)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-chlorophenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8538-0221 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 380.81 |
| Molecular Formula: | C14 H13 Cl N6 O3 S |
| Smiles: | CCOC(c1c(CSc2ccc(cc2)[Cl])n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0533 |
| logD: | 3.0533 |
| logSw: | -3.4321 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.321 |
| InChI Key: | TTYZADKAJYLZFN-UHFFFAOYSA-N |