2-[3-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-[3-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one
2-[3-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | E787-0627 |
| Compound Name: | 2-[3-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C30 H33 N3 O4 |
| Smiles: | COc1ccc(cc1OC)C(CC(N1CCN(CC1)Cc1ccccc1)=O)N1Cc2ccccc2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2919 |
| logD: | 3.2589 |
| logSw: | -3.6112 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.898 |
| InChI Key: | TZDYEAYRUFEFMO-SANMLTNESA-N |