4-(4-benzoylbenzoyl)-7-bromo-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
4-(4-benzoylbenzoyl)-7-bromo-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
4-(4-benzoylbenzoyl)-7-bromo-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0631 |
| Compound Name: | 4-(4-benzoylbenzoyl)-7-bromo-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 543.39 |
| Molecular Formula: | C29 H20 Br F N2 O3 |
| Smiles: | C1C(Nc2ccc(cc2C(c2ccc(cc2)F)N1C(c1ccc(cc1)C(c1ccccc1)=O)=O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.81 |
| logD: | 5.81 |
| logSw: | -6.0353 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.493 |
| InChI Key: | XZJUCWUXMFJULQ-MHZLTWQESA-N |