8-chloro-1-(4-methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
8-chloro-1-(4-methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
8-chloro-1-(4-methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | 8013-0968 |
| Compound Name: | 8-chloro-1-(4-methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 396.79 |
| Molecular Formula: | C20 H13 Cl N2 O5 |
| Smiles: | Cc1ccc(cc1)Oc1cc(cc2c1C(Nc1cc(ccc1O2)[Cl])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5349 |
| logD: | 4.7775 |
| logSw: | -6.2337 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.556 |
| InChI Key: | PBVCWJWIDVUHDZ-UHFFFAOYSA-N |