11-{4-[(2-fluorophenyl)methoxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-{4-[(2-fluorophenyl)methoxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-{4-[(2-fluorophenyl)methoxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8016-5960 |
| Compound Name: | 11-{4-[(2-fluorophenyl)methoxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 442.53 |
| Molecular Formula: | C28 H27 F N2 O2 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)OCc3ccccc3F)Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5695 |
| logD: | 5.559 |
| logSw: | -5.5346 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.976 |
| InChI Key: | AZXBZCYPCIUTBU-MHZLTWQESA-N |