7-bromo-4-[(3,4-dimethoxyphenyl)acetyl]-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
7-bromo-4-[(3,4-dimethoxyphenyl)acetyl]-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
7-bromo-4-[(3,4-dimethoxyphenyl)acetyl]-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0584 |
| Compound Name: | 7-bromo-4-[(3,4-dimethoxyphenyl)acetyl]-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 495.37 |
| Molecular Formula: | C25 H23 Br N2 O4 |
| Smiles: | COc1ccc(CC(N2CC(Nc3ccc(cc3C2c2ccccc2)[Br])=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3683 |
| logD: | 4.3683 |
| logSw: | -4.3387 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.759 |
| InChI Key: | JIFHEFZYBFHTLC-VWLOTQADSA-N |