1-{5-[(4-methyl-2-nitrophenoxy)methyl]-2-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[(4-methyl-2-nitrophenoxy)methyl]-2-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{5-[(4-methyl-2-nitrophenoxy)methyl]-2-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | F076-0628 |
| Compound Name: | 1-{5-[(4-methyl-2-nitrophenoxy)methyl]-2-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 400.35 |
| Molecular Formula: | C18 H16 N4 O7 |
| Smiles: | CC(N1C(c2cccc(c2)[N+]([O-])=O)OC(COc2ccc(C)cc2[N+]([O-])=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2131 |
| logD: | 3.2131 |
| logSw: | -3.3958 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 109.445 |
| InChI Key: | MDQDFHMPNPNFFP-GOSISDBHSA-N |