6-methoxy-3-nitrodibenzo[b,f]oxepine-1-carbonitrile
Chemical Structure Depiction of
6-methoxy-3-nitrodibenzo[b,f]oxepine-1-carbonitrile
6-methoxy-3-nitrodibenzo[b,f]oxepine-1-carbonitrile
Compound characteristics
| Compound ID: | 8011-5941 |
| Compound Name: | 6-methoxy-3-nitrodibenzo[b,f]oxepine-1-carbonitrile |
| Molecular Weight: | 294.26 |
| Molecular Formula: | C16 H10 N2 O4 |
| Smiles: | COc1cccc2C=Cc3c(C#N)cc(cc3Oc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3385 |
| logD: | 3.3385 |
| logSw: | -3.8636 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.135 |
| InChI Key: | BNYGRMTUMYHUQQ-UHFFFAOYSA-N |