3-(benzylsulfanyl)-1-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-(benzylsulfanyl)-1-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
3-(benzylsulfanyl)-1-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | 8013-3105 |
| Compound Name: | 3-(benzylsulfanyl)-1-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 378.4 |
| Molecular Formula: | C20 H14 N2 O4 S |
| Smiles: | C(c1ccccc1)Sc1cc(c2C(Nc3ccccc3Oc2c1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5713 |
| logD: | 3.788 |
| logSw: | -4.6812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.149 |
| InChI Key: | WJKXPRPIIHNTMY-UHFFFAOYSA-N |