7-bromo-4-[(3,4-dimethoxyphenyl)acetyl]-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
7-bromo-4-[(3,4-dimethoxyphenyl)acetyl]-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
7-bromo-4-[(3,4-dimethoxyphenyl)acetyl]-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0137 |
| Compound Name: | 7-bromo-4-[(3,4-dimethoxyphenyl)acetyl]-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 513.36 |
| Molecular Formula: | C25 H22 Br F N2 O4 |
| Smiles: | COc1ccc(CC(N2CC(Nc3ccc(cc3C2c2ccc(cc2)F)[Br])=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.393 |
| logD: | 4.393 |
| logSw: | -4.3796 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.759 |
| InChI Key: | BKJGIVCDULWBFO-VWLOTQADSA-N |