2-[3-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-[3-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one
2-[3-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | E787-1041 |
| Compound Name: | 2-[3-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C29 H31 N3 O2 |
| Smiles: | Cc1ccc(cc1)C(CC(N1CCN(CC1)Cc1ccccc1)=O)N1Cc2ccccc2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0512 |
| logD: | 4.0183 |
| logSw: | -4.1221 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.637 |
| InChI Key: | BBCDRQAVWYVIHJ-MHZLTWQESA-N |