5-{[(2,4-dinitrophenyl)carbamoyl]imino}-3-[1-(4-nitrophenyl)propan-2-yl]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
Chemical Structure Depiction of
5-{[(2,4-dinitrophenyl)carbamoyl]imino}-3-[1-(4-nitrophenyl)propan-2-yl]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
5-{[(2,4-dinitrophenyl)carbamoyl]imino}-3-[1-(4-nitrophenyl)propan-2-yl]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
Compound characteristics
| Compound ID: | 8014-9723 |
| Compound Name: | 5-{[(2,4-dinitrophenyl)carbamoyl]imino}-3-[1-(4-nitrophenyl)propan-2-yl]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide |
| Molecular Weight: | 457.36 |
| Molecular Formula: | C18 H15 N7 O8 |
| Smiles: | CC(Cc1ccc(cc1)[N+]([O-])=O)[N+]1[C-]/C(=N/C(Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)=O)ON=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0632 |
| logD: | -0.2387 |
| logSw: | -3.4093 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 159.905 |
| InChI Key: | NCSHLLOEESVAJN-NSHDSACASA-N |