1-[5-(3,5-dinitrophenyl)-2-[4-(propan-2-yl)phenyl]-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-(3,5-dinitrophenyl)-2-[4-(propan-2-yl)phenyl]-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[5-(3,5-dinitrophenyl)-2-[4-(propan-2-yl)phenyl]-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F076-1029 |
| Compound Name: | 1-[5-(3,5-dinitrophenyl)-2-[4-(propan-2-yl)phenyl]-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 398.37 |
| Molecular Formula: | C19 H18 N4 O6 |
| Smiles: | CC(C)c1ccc(cc1)C1N(C(C)=O)N=C(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4489 |
| logD: | 4.4489 |
| logSw: | -4.3866 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 102.014 |
| InChI Key: | ARUVIDMGBWLYPS-LJQANCHMSA-N |