6,8-dichloro-N-(4-methoxyphenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide
Chemical Structure Depiction of
6,8-dichloro-N-(4-methoxyphenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide
6,8-dichloro-N-(4-methoxyphenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide
Compound characteristics
| Compound ID: | 8017-1211 |
| Compound Name: | 6,8-dichloro-N-(4-methoxyphenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide |
| Molecular Weight: | 457.27 |
| Molecular Formula: | C22 H14 Cl2 N2 O5 |
| Smiles: | COc1ccc(cc1)NC(c1cc(cc2c1C=Cc1cc(cc(c1O2)[Cl])[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0224 |
| logD: | 6.0199 |
| logSw: | -6.1447 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.084 |
| InChI Key: | CKVLKZFQJFSZAG-UHFFFAOYSA-N |