3-nitro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-propylbenzamide
Chemical Structure Depiction of
3-nitro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-propylbenzamide
3-nitro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-propylbenzamide
Compound characteristics
| Compound ID: | V011-7287 |
| Compound Name: | 3-nitro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-propylbenzamide |
| Molecular Weight: | 425.4 |
| Molecular Formula: | C20 H19 N5 O6 |
| Smiles: | CCCN(CCc1nc(c2ccc(cc2)[N+]([O-])=O)no1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9956 |
| logD: | 3.9956 |
| logSw: | -4.0917 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 114.512 |
| InChI Key: | FZKGBUVEWQAWSP-UHFFFAOYSA-N |