methyl 3-nitrodibenzo[b,f]oxepine-1-carboxylate
Chemical Structure Depiction of
methyl 3-nitrodibenzo[b,f]oxepine-1-carboxylate
methyl 3-nitrodibenzo[b,f]oxepine-1-carboxylate
Compound characteristics
| Compound ID: | 8017-6080 |
| Compound Name: | methyl 3-nitrodibenzo[b,f]oxepine-1-carboxylate |
| Molecular Weight: | 297.26 |
| Molecular Formula: | C16 H11 N O5 |
| Smiles: | COC(c1cc(cc2c1C=Cc1ccccc1O2)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8341 |
| logD: | 3.8341 |
| logSw: | -4.1283 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.938 |
| InChI Key: | MUYZSHGCIHLPAM-UHFFFAOYSA-N |