1-(2,4-dibromophenoxy)-7-methyl-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
1-(2,4-dibromophenoxy)-7-methyl-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
1-(2,4-dibromophenoxy)-7-methyl-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | 8013-0967 |
| Compound Name: | 1-(2,4-dibromophenoxy)-7-methyl-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 520.13 |
| Molecular Formula: | C20 H12 Br2 N2 O5 |
| Smiles: | Cc1ccc2c(c1)Oc1cc(cc(c1C(N2)=O)Oc1ccc(cc1[Br])[Br])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4719 |
| logD: | 6.4375 |
| logSw: | -5.7064 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.643 |
| InChI Key: | YXQWLXLOMPRTSC-UHFFFAOYSA-N |