10-(4-bromobenzoyl)-11-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-(4-bromobenzoyl)-11-(2,4-dichlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y500-1183 |
| Compound Name: | 10-(4-bromobenzoyl)-11-(2,4-dichlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 570.31 |
| Molecular Formula: | C28 H23 Br Cl2 N2 O2 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3[Cl])[Cl])N(C(c3ccc(cc3)[Br])=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.7355 |
| logD: | 7.7165 |
| logSw: | -6.3566 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.165 |
| InChI Key: | HEPFGBXKPZXWSO-SANMLTNESA-N |