N-(3-methoxyphenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide
N-(3-methoxyphenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide
Compound characteristics
| Compound ID: | 8017-5005 |
| Compound Name: | N-(3-methoxyphenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide |
| Molecular Weight: | 388.38 |
| Molecular Formula: | C22 H16 N2 O5 |
| Smiles: | COc1cccc(c1)NC(c1cc(cc2c1C=Cc1ccccc1O2)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9123 |
| logD: | 4.9014 |
| logSw: | -4.6812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.399 |
| InChI Key: | URXMNPFABBMTBG-UHFFFAOYSA-N |