N-(3-chloro-4-fluorophenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide
N-(3-chloro-4-fluorophenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide
Compound characteristics
| Compound ID: | 8016-8291 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide |
| Molecular Weight: | 410.79 |
| Molecular Formula: | C21 H12 Cl F N2 O4 |
| Smiles: | C1=Cc2c(cc(cc2Oc2ccccc12)[N+]([O-])=O)C(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.576 |
| logD: | 4.4425 |
| logSw: | -6.0255 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.856 |
| InChI Key: | NBJODVUZTUSCMC-UHFFFAOYSA-N |