10-(4-bromobenzoyl)-11-(4-fluorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-(4-bromobenzoyl)-11-(4-fluorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-(4-bromobenzoyl)-11-(4-fluorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3046-8937 |
| Compound Name: | 10-(4-bromobenzoyl)-11-(4-fluorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 519.41 |
| Molecular Formula: | C28 H24 Br F N2 O2 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)F)N(C(c3ccc(cc3)[Br])=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3381 |
| logD: | 6.3108 |
| logSw: | -5.6836 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.165 |
| InChI Key: | RTSURMGNNYXQDD-SANMLTNESA-N |