methyl 4-(2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D291-0204 |
| Compound Name: | methyl 4-(2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 431.43 |
| Molecular Formula: | C17 H17 N7 O5 S |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCC(Nc2ccc(cc2)C(=O)OC)=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5133 |
| logD: | 1.5085 |
| logSw: | -2.1838 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 129.664 |
| InChI Key: | QRUZBXKOCGGXLW-UHFFFAOYSA-N |