1-{5-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)-1H-1,2,3-triazol-4-yl]-2-(3-chlorophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)-1H-1,2,3-triazol-4-yl]-2-(3-chlorophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{5-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)-1H-1,2,3-triazol-4-yl]-2-(3-chlorophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | F076-0393 |
| Compound Name: | 1-{5-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)-1H-1,2,3-triazol-4-yl]-2-(3-chlorophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 418.8 |
| Molecular Formula: | C16 H15 Cl N8 O4 |
| Smiles: | CC(N1C(c2cccc(c2)[Cl])OC(c2c(COC)n(c3c(N)non3)nn2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.696 |
| logD: | 1.696 |
| logSw: | -2.4657 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 126.276 |
| InChI Key: | YTJRTGKGPOFLHQ-INIZCTEOSA-N |