4-{5-[1-(4-acetamido-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-acetyl-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-{5-[1-(4-acetamido-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-acetyl-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenyl acetate
4-{5-[1-(4-acetamido-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-acetyl-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | G642-1559 |
| Compound Name: | 4-{5-[1-(4-acetamido-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-acetyl-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenyl acetate |
| Molecular Weight: | 498.45 |
| Molecular Formula: | C21 H22 N8 O7 |
| Smiles: | CC(Nc1c(non1)n1c(C)c(C2=NN(C(C)=O)C(C)(c3ccc(c(c3)OC)OC(C)=O)O2)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0682 |
| logD: | -0.6248 |
| logSw: | -2.0486 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 149.146 |
| InChI Key: | OIWJUJMTBBVBDF-NRFANRHFSA-N |