1-[2-(3-bromophenyl)-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-(3-bromophenyl)-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[2-(3-bromophenyl)-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G642-6459 |
| Compound Name: | 1-[2-(3-bromophenyl)-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 434.2 |
| Molecular Formula: | C17 H12 Br N3 O6 |
| Smiles: | CC(N1C(c2cccc(c2)[Br])OC(c2cc3c(cc2[N+]([O-])=O)OCO3)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9464 |
| logD: | 3.9464 |
| logSw: | -4.0698 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.447 |
| InChI Key: | TZXHYVNUUSCBPW-KRWDZBQOSA-N |