8-chloro-1-(2,4-dibromophenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
8-chloro-1-(2,4-dibromophenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
8-chloro-1-(2,4-dibromophenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | 8013-0871 |
| Compound Name: | 8-chloro-1-(2,4-dibromophenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 540.55 |
| Molecular Formula: | C19 H9 Br2 Cl N2 O5 |
| Smiles: | c1cc2c(cc1[Cl])NC(c1c(cc(cc1Oc1ccc(cc1[Br])[Br])[N+]([O-])=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.466 |
| logD: | 5.7086 |
| logSw: | -6.7886 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.643 |
| InChI Key: | QURYXABPVMTZEG-UHFFFAOYSA-N |