2-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl}-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl}-2,3-dihydro-1H-isoindol-1-one
2-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl}-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | E787-1066 |
| Compound Name: | 2-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl}-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C27 H27 N3 O4 |
| Smiles: | Cc1ccc(cc1)C(CC(N1CCN(CC1)C(c1ccco1)=O)=O)N1Cc2ccccc2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9431 |
| logD: | 2.9431 |
| logSw: | -3.2692 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.131 |
| InChI Key: | IHQLCNLOOUKJGS-QHCPKHFHSA-N |