10-[(3-methylphenyl)methyl]-1-nitro-3-phenoxydibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
10-[(3-methylphenyl)methyl]-1-nitro-3-phenoxydibenzo[b,f][1,4]oxazepin-11(10H)-one
10-[(3-methylphenyl)methyl]-1-nitro-3-phenoxydibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | 8013-1485 |
| Compound Name: | 10-[(3-methylphenyl)methyl]-1-nitro-3-phenoxydibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 452.47 |
| Molecular Formula: | C27 H20 N2 O5 |
| Smiles: | Cc1cccc(CN2C(c3c(cc(cc3Oc3ccccc23)Oc2ccccc2)[N+]([O-])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.7435 |
| logD: | 6.7435 |
| logSw: | -5.7432 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.394 |
| InChI Key: | OVDHUMDTITXEFB-UHFFFAOYSA-N |