5-[(3,4-dimethoxyphenyl)acetyl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Chemical Structure Depiction of
5-[(3,4-dimethoxyphenyl)acetyl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
5-[(3,4-dimethoxyphenyl)acetyl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Compound characteristics
| Compound ID: | D479-0090 |
| Compound Name: | 5-[(3,4-dimethoxyphenyl)acetyl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| Molecular Weight: | 340.38 |
| Molecular Formula: | C19 H20 N2 O4 |
| Smiles: | COc1ccc(CC(N2CCC(Nc3ccccc23)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.9593 |
| logD: | 1.9425 |
| logSw: | -2.7003 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.516 |
| InChI Key: | CKBXWUNCHZXLHU-UHFFFAOYSA-N |