N-{3-[(3-nitro-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-1-yl)oxy]phenyl}acetamide
Chemical Structure Depiction of
N-{3-[(3-nitro-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-1-yl)oxy]phenyl}acetamide
N-{3-[(3-nitro-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-1-yl)oxy]phenyl}acetamide
Compound characteristics
| Compound ID: | 8012-3473 |
| Compound Name: | N-{3-[(3-nitro-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-1-yl)oxy]phenyl}acetamide |
| Molecular Weight: | 405.37 |
| Molecular Formula: | C21 H15 N3 O6 |
| Smiles: | CC(Nc1cccc(c1)Oc1cc(cc2c1C(Nc1ccccc1O2)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8118 |
| logD: | 3.7856 |
| logSw: | -4.3775 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.818 |
| InChI Key: | GVKYTMYPEPFSLC-UHFFFAOYSA-N |