2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N-(4-fluorophenyl)acetamide
2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | J024-0013 |
| Compound Name: | 2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C29 H28 F N3 O2 |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3)N(CC(Nc3ccc(cc3)F)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8648 |
| logD: | 5.8449 |
| logSw: | -5.5854 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.73 |
| InChI Key: | RABGAJIJFSSWLA-NDEPHWFRSA-N |