N-{3-[(3-nitrodibenzo[b,f]oxepin-1-yl)oxy]phenyl}acetamide
Chemical Structure Depiction of
N-{3-[(3-nitrodibenzo[b,f]oxepin-1-yl)oxy]phenyl}acetamide
N-{3-[(3-nitrodibenzo[b,f]oxepin-1-yl)oxy]phenyl}acetamide
Compound characteristics
| Compound ID: | 8012-9534 |
| Compound Name: | N-{3-[(3-nitrodibenzo[b,f]oxepin-1-yl)oxy]phenyl}acetamide |
| Molecular Weight: | 388.38 |
| Molecular Formula: | C22 H16 N2 O5 |
| Smiles: | CC(Nc1cccc(c1)Oc1cc(cc2c1C=Cc1ccccc1O2)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7461 |
| logD: | 4.7461 |
| logSw: | -4.6648 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.861 |
| InChI Key: | WLQDDIPZCGSTGY-UHFFFAOYSA-N |