3-nitro-1-[4-(3-oxobutyl)phenoxy]dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-nitro-1-[4-(3-oxobutyl)phenoxy]dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-nitro-1-[4-(3-oxobutyl)phenoxy]dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | 8012-0455 |
| Compound Name: | 3-nitro-1-[4-(3-oxobutyl)phenoxy]dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 418.4 |
| Molecular Formula: | C23 H18 N2 O6 |
| Smiles: | CC(CCc1ccc(cc1)Oc1cc(cc2c1C(Nc1ccccc1O2)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4739 |
| logD: | 4.4477 |
| logSw: | -4.5817 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.891 |
| InChI Key: | FXUBTHBFHGYNME-UHFFFAOYSA-N |