3-nitro-1-propoxydibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-nitro-1-propoxydibenzo[b,f][1,4]oxazepin-11(10H)-one
3-nitro-1-propoxydibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | 8011-6629 |
| Compound Name: | 3-nitro-1-propoxydibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 314.3 |
| Molecular Formula: | C16 H14 N2 O5 |
| Smiles: | CCCOc1cc(cc2c1C(Nc1ccccc1O2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0334 |
| logD: | 3.8106 |
| logSw: | -4.2855 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.226 |
| InChI Key: | IDMAJOJRTRWMBE-UHFFFAOYSA-N |